data_2k42_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 2k42 _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 ' 12' ' ' VAL . . . . . 0.547 HG22 ' O ' ' A' ' 12' ' ' VAL . 14.1 p . . . . . 0 CA--C 1.556 1.187 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 53.28 29.06 36.6 Favored Glycine 0 CA--C 1.522 0.474 0 O-C-N 121.727 -0.608 . . . . 0.0 112.804 -177.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.571 ' CH2' ' HA ' ' A' ' 16' ' ' PRO . 59.5 t90 -120.76 143.57 48.74 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 122.888 0.475 . . . . 0.0 110.18 -175.514 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -111.13 129.03 24.43 Favored Pre-proline 0 C--N 1.318 -0.785 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 174.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.571 ' HA ' ' CH2' ' A' ' 14' ' ' TRP . 4.2 Cg_endo -46.78 -32.45 12.28 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 124.287 3.325 . . . . 0.0 114.231 -174.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -105.56 -53.49 2.64 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -178.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -92.57 14.24 17.48 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.67 0.618 . . . . 0.0 112.67 -169.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.506 ' HA2' ' OG ' ' A' ' 49' ' ' SER . . . 82.2 -166.62 46.37 Favored Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.598 -0.811 . . . . 0.0 113.906 169.614 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.557 ' HA ' ' HA ' ' A' ' 14' ' ' TRP . 87.8 m-85 -70.55 130.14 41.07 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.142 -0.529 . . . . 0.0 110.703 -178.441 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -74.69 91.76 2.4 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 175.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.672 ' HA ' ' HB3' ' A' ' 25' ' ' LEU . 31.5 m -60.63 -11.74 4.2 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -173.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -83.93 -32.72 24.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.166 0.508 . . . . 0.0 109.78 175.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -109.94 28.51 8.52 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.003 177.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.672 ' HB3' ' HA ' ' A' ' 22' ' ' VAL . 0.7 OUTLIER -98.15 123.71 42.34 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-N 115.133 -0.939 . . . . 0.0 109.576 -172.29 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.548 ' OD2' ' HB2' ' A' ' 28' ' ' ASP . 28.6 t70 -58.67 129.47 84.78 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.114 -176.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 26' ' ' ASP . 51.9 Cg_exo -56.05 -34.58 92.94 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 123.954 3.103 . . . . 0.0 113.682 -178.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.548 ' HB2' ' OD2' ' A' ' 26' ' ' ASP . 6.4 m-20 -67.89 -44.76 76.25 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 120.993 0.425 . . . . 0.0 109.889 178.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.59 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 96.9 mt -59.31 -46.78 87.64 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.647 172.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.0 ttt180 -56.31 -39.9 73.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.815 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.427 ' HB3' ' HE2' ' A' ' 69' ' ' MET . 8.1 t -57.84 -53.55 57.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.728 176.409 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.837 HD12 HG12 ' B' ' 79' ' ' VAL . 45.0 tp -58.32 -50.91 71.95 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.058 -0.974 . . . . 0.0 111.572 -177.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.59 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 17.2 m-30 -62.58 -42.09 99.34 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.386 -173.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.7 t -64.95 -33.49 76.17 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.725 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' A' ' 31' ' ' SER . 98.8 mtt180 -67.91 -45.82 73.32 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.371 0.605 . . . . 0.0 110.103 175.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.414 ' HB1' ' HB3' ' B' ' 83' ' ' LEU . . . -64.91 -23.81 67.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.617 -1.174 . . . . 0.0 111.628 -176.109 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 115.0 -17.48 17.32 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.896 -0.669 . . . . 0.0 111.553 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.72 HD12 HD11 ' A' ' 52' ' ' ILE . 6.1 mt -65.06 111.6 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 CA-C-N 115.098 -0.551 . . . . 0.0 110.384 178.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.9 t -91.46 179.94 5.54 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.368 178.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.499 ' HG3' HG12 ' A' ' 22' ' ' VAL . 45.0 tt0 -54.16 -46.05 72.21 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 122.897 0.479 . . . . 0.0 111.058 -177.392 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.92 -53.77 54.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.179 176.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.568 ' HB3' HG23 ' A' ' 48' ' ' THR . 50.1 mt-30 -57.59 -41.05 80.39 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.991 -0.284 . . . . 0.0 111.08 -179.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.5 mt -60.73 -26.24 67.04 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.476 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.9 p -102.61 13.36 34.68 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.141 0.496 . . . . 0.0 110.818 -177.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -93.9 152.31 18.96 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.783 176.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.46 -69.2 0.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -174.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -65.85 -37.05 85.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.758 -172.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.603 ' HA ' HG13 ' B' ' 92' ' ' ILE . 35.7 m -58.77 -60.1 4.38 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.696 179.328 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.506 ' OG ' ' HA2' ' A' ' 19' ' ' GLY . 96.8 p -66.91 -36.26 81.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 0.0 111.478 -174.52 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.4 tttp -56.57 -43.94 80.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.094 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.653 HD11 HD13 ' B' ' 92' ' ' ILE . 42.2 mt -80.36 -22.85 40.97 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.551 -179.058 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.72 HD11 HD12 ' A' ' 38' ' ' ILE . 59.9 mt -65.13 -42.81 95.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.639 0.257 . . . . 0.0 110.827 170.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -64.03 -46.61 83.69 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.264 -0.575 . . . . 0.0 110.171 176.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -56.5 -38.96 72.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.184 0.516 . . . . 0.0 110.107 175.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.618 ' HB3' ' O ' ' A' ' 52' ' ' ILE . 32.6 t80 -54.72 -56.69 16.53 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.349 -0.842 . . . . 0.0 110.713 173.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.7 HG23 HD23 ' A' ' 62' ' ' LEU . 68.7 mt -59.12 -37.87 70.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.231 -177.363 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -75.0 -23.96 58.34 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.707 -177.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -64.93 -39.25 93.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -85.57 1.99 46.77 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 120.66 -0.416 . . . . 0.0 111.576 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.32 -26.26 7.45 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.185 -1.007 . . . . 0.0 113.802 175.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 148.72 -165.6 29.2 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 119.679 -1.248 . . . . 0.0 113.536 178.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.7 HD23 HG23 ' A' ' 56' ' ' ILE . 96.7 mt -67.24 -50.36 60.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.858 0.361 . . . . 0.0 111.429 -174.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.562 ' O ' ' HG2' ' A' ' 67' ' ' GLN . 6.1 mm-40 -61.07 -32.73 72.37 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.342 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.58 -50.38 67.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.649 -175.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.96 ' HA ' ' HG3' ' A' ' 68' ' ' GLU . 5.3 m -71.2 -26.51 27.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.031 0.444 . . . . 0.0 110.424 -178.001 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.483 ' O ' ' HB2' ' A' ' 69' ' ' MET . 63.3 mtt180 -66.35 -35.65 80.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.909 174.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.562 ' HG2' ' O ' ' A' ' 63' ' ' GLU . 14.4 mm100 -69.3 -34.8 75.23 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.5 177.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.96 ' HG3' ' HA ' ' A' ' 65' ' ' VAL . 3.3 mt-10 -59.63 -29.99 68.4 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.263 0.352 . . . . 0.0 110.278 177.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.483 ' HB2' ' O ' ' A' ' 66' ' ' ARG . 36.8 mtt -56.39 -36.34 68.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.962 0.41 . . . . 0.0 110.784 178.363 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.0 mpt_? . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.275 -178.314 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . 0.837 HG12 HD12 ' A' ' 32' ' ' LEU . 2.4 p . . . . . 0 CA--C 1.541 0.631 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.405 ' HA ' HD11 ' A' ' 32' ' ' LEU . . . -62.33 -32.28 73.02 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -176.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' GLN . . . . . 0.514 ' HG3' ' N ' ' B' ' 82' ' ' ARG . 2.4 pt20 -65.89 -35.87 81.83 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.414 0.626 . . . . 0.0 109.391 177.375 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . 0.514 ' N ' ' HG3' ' B' ' 81' ' ' GLN . 4.6 tpp180 -63.25 -23.73 67.55 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 114.73 -1.123 . . . . 0.0 110.485 -176.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . 0.609 ' HG ' ' CZ ' ' A' ' 55' ' ' PHE . 1.8 mt -82.03 -37.15 26.94 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.878 -176.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 59.5 mtt -59.64 -35.9 75.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.628 -178.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -71.03 -40.48 71.71 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.775 178.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . 0.478 ' HA ' ' OE2' ' B' ' 89' ' ' GLU . 30.7 t60 -73.96 -29.02 61.77 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -169.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . 0.639 ' HA ' HD11 ' B' ' 92' ' ' ILE . 0.3 OUTLIER -80.66 -38.7 28.58 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.17 -0.612 . . . . 0.0 110.075 174.45 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.53 -32.06 71.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.7 -176.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . 0.478 ' OE2' ' HA ' ' B' ' 86' ' ' HIS . 13.0 pt-20 -74.37 0.15 15.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.884 -177.15 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 -122.21 -64.19 1.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.575 -0.45 . . . . 0.0 112.191 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 148.98 32.19 0.05 OUTLIER Glycine 0 C--N 1.329 0.185 0 C-N-CA 120.422 -0.894 . . . . 0.0 112.929 -179.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . 0.653 HD13 HD11 ' A' ' 51' ' ' LEU . 1.7 mp -59.37 143.96 13.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.922 0.391 . . . . 0.0 111.626 178.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 . . . . . 0 C--N 1.326 -0.414 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.084 -179.581 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.795 HG23 HD13 ' A' ' 62' ' ' LEU . 44.0 t . . . . . 0 N--CA 1.47 0.527 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.0 13.22 34.52 Favored Glycine 0 N--CA 1.447 -0.609 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 -176.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 69.2 t90 -95.77 125.54 40.41 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 120.958 0.409 . . . . 0.0 110.762 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -108.24 133.76 20.43 Favored Pre-proline 0 C--N 1.319 -0.719 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.354 174.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -55.31 -26.68 53.67 Favored 'Trans proline' 0 CA--C 1.529 0.243 0 C-N-CA 123.699 2.933 . . . . 0.0 113.85 -175.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -104.9 -36.26 7.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.755 0.312 . . . . 0.0 111.766 -179.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -99.39 -7.28 26.39 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -172.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.489 ' HA3' ' HA ' ' A' ' 44' ' ' THR . . . 79.94 -156.5 40.17 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.264 178.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.618 ' HB3' HD23 ' A' ' 25' ' ' LEU . 95.6 m-85 -77.54 124.81 28.4 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 178.509 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -65.52 100.7 0.52 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.269 0.557 . . . . 0.0 109.588 178.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.644 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 20.5 m -70.91 -4.8 4.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.953 -172.508 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -78.95 -40.93 30.54 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.025 0.44 . . . . 0.0 109.948 179.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -115.68 32.5 6.04 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.746 -177.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.644 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 29.4 mt -65.99 129.19 38.94 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.064 174.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.424 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 1.1 m-20 -63.59 134.51 95.9 Favored Pre-proline 0 C--N 1.322 -0.614 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 173.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.464 ' O ' ' HB2' ' A' ' 31' ' ' SER . 82.5 Cg_exo -48.1 -31.94 17.53 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 124.178 3.252 . . . . 0.0 113.574 -174.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -72.2 -51.85 19.24 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.956 178.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 96.5 mt -58.47 -45.3 88.92 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.809 0.338 . . . . 0.0 110.535 176.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -60.84 -44.95 96.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.626 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.549 ' HB3' ' HE3' ' A' ' 69' ' ' MET . 1.4 t -60.15 -46.73 88.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.25 178.22 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.454 ' HB2' ' HE1' ' A' ' 69' ' ' MET . 1.3 tm? -66.51 -56.21 11.95 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.825 -175.024 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -58.31 -42.97 87.89 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.423 -175.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 70.7 m -70.6 -19.21 62.87 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.002 177.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 45.3 ttp180 -90.14 -9.27 48.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.467 0.651 . . . . 0.0 109.4 176.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.554 ' O ' ' HG2' ' B' ' 84' ' ' MET . . . -96.76 6.49 48.58 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.94 177.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.0 -7.82 80.09 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.62 176.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.704 HD12 HD11 ' A' ' 52' ' ' ILE . 6.2 mt -75.02 105.96 4.4 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 CA-C-O 120.864 0.364 . . . . 0.0 110.427 179.19 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.6 m -69.03 161.33 29.22 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.187 177.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -52.95 -45.92 67.92 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.95 0.405 . . . . 0.0 110.884 -175.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.06 -46.78 87.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.131 178.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.94 ' HG2' HG23 ' A' ' 48' ' ' THR . 36.6 tt0 -61.35 -33.29 73.39 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.578 0.704 . . . . 0.0 110.224 -179.234 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.489 ' HG ' ' HB2' ' A' ' 20' ' ' PHE . 19.0 tp -68.41 -19.39 64.6 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.711 -179.035 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.489 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 6.8 p -108.38 12.94 25.94 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.869 179.439 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -86.06 146.05 26.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.053 172.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.4 -69.54 0.16 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -169.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -66.2 -39.98 90.04 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 121.152 -0.219 . . . . 0.0 111.37 -173.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.94 HG23 ' HG2' ' A' ' 42' ' ' GLN . 24.7 m -52.1 -58.61 6.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.653 0.263 . . . . 0.0 111.459 177.224 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.507 ' HA ' HD13 ' A' ' 52' ' ' ILE . 79.8 p -64.61 -38.02 89.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.013 0.435 . . . . 0.0 110.998 -176.718 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -61.33 -38.12 85.77 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.09 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.926 HD12 HD11 ' B' ' 92' ' ' ILE . 68.4 mt -80.42 -26.96 38.16 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.274 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.704 HD11 HD12 ' A' ' 38' ' ' ILE . 81.6 mt -62.54 -45.19 99.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.049 0.452 . . . . 0.0 109.918 168.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.459 ' HE1' HG21 ' A' ' 12' ' ' VAL . 26.1 t80 -61.0 -40.9 95.3 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.85 178.581 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -60.27 -46.62 89.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.251 173.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 1.041 ' HE1' ' HG3' ' B' ' 82' ' ' ARG . 55.4 t80 -53.48 -49.42 67.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.261 -0.882 . . . . 0.0 111.532 176.602 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.645 HG23 HD23 ' A' ' 62' ' ' LEU . 99.3 mt -59.5 -40.64 82.4 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.884 0 CA-C-N 115.331 -0.849 . . . . 0.0 111.697 -175.21 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -67.08 -38.05 85.05 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 178.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -55.79 -39.85 71.84 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.277 0.56 . . . . 0.0 110.484 177.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.491 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 12.2 mm100 -80.16 -18.24 50.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.333 -176.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.11 4.38 12.44 Favored Glycine 0 CA--C 1.52 0.387 0 C-N-CA 120.719 -0.753 . . . . 0.0 113.357 179.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 111.47 178.28 20.24 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.285 179.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.795 HD13 HG23 ' A' ' 12' ' ' VAL . 80.3 mt -59.13 -41.21 87.69 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.234 0.54 . . . . 0.0 110.863 -176.586 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.459 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 32.3 mp0 -64.02 -29.23 70.4 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.554 -176.255 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.54 -47.11 43.41 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.381 -177.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.77 ' HB ' HG11 ' B' ' 79' ' ' VAL . 1.5 m -66.95 -25.89 35.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-O 121.113 0.482 . . . . 0.0 110.267 -176.33 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -62.27 -36.73 82.99 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.099 173.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.459 ' HG3' ' O ' ' A' ' 63' ' ' GLU . 87.0 mt-30 -74.75 -41.0 60.92 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.915 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.757 ' HG3' ' HA ' ' A' ' 65' ' ' VAL . 1.9 mm-40 -57.07 -28.12 62.31 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.576 -175.262 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.549 ' HE3' ' HB3' ' A' ' 31' ' ' SER . 31.7 mtt -54.39 -36.34 63.81 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.228 0.537 . . . . 0.0 110.905 175.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.218 178.27 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . 0.77 HG11 ' HB ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.223 -0.333 0 N-CA-C 112.416 0.525 . . . . 0.0 112.416 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.58 ' O ' ' HG3' ' B' ' 84' ' ' MET . . . -47.92 -62.35 1.51 Allowed 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 -175.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.1 -33.69 68.05 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 121.886 -0.509 . . . . 0.0 110.889 -179.31 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . 1.041 ' HG3' ' HE1' ' A' ' 55' ' ' PHE . 18.7 tpt180 -58.32 -33.39 69.45 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.581 0.705 . . . . 0.0 110.119 177.433 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . 0.616 HD21 HD11 ' A' ' 38' ' ' ILE . 32.0 tp -82.5 -44.37 16.05 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.049 179.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' MET . . . . . 0.58 ' HG3' ' O ' ' B' ' 80' ' ' ALA . 67.6 mtt -46.88 -53.6 11.79 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 121.257 0.551 . . . . 0.0 111.241 -179.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -71.87 -26.91 62.54 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.829 -175.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . 0.412 ' HA ' ' HG2' ' B' ' 89' ' ' GLU . 74.1 t60 -68.9 -18.12 64.07 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.326 -178.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . 0.868 HD12 HG13 ' B' ' 92' ' ' ILE . 1.7 mm? -84.29 -46.5 11.73 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.218 0.532 . . . . 0.0 109.868 171.38 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.07 -16.83 63.19 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.512 -0.767 . . . . 0.0 112.326 -174.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . 0.615 ' HG3' ' CD2' ' B' ' 90' ' ' HIS . 8.2 pt-20 -78.42 -5.87 53.63 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.666 0.247 . . . . 0.0 111.666 179.175 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 90' ' ' HIS . . . . . 0.615 ' CD2' ' HG3' ' B' ' 89' ' ' GLU . 90.3 m-70 -117.13 -73.48 0.64 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -177.149 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 161.18 66.12 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 -173.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . 0.926 HD11 HD12 ' A' ' 51' ' ' LEU . 19.6 mm -107.89 142.15 21.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.195 -0.503 . . . . 0.0 111.654 -173.357 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.491 176.465 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.526 HG11 HD22 ' A' ' 62' ' ' LEU . 17.4 t . . . . . 0 CA--C 1.534 0.353 0 CA-C-O 120.964 0.412 . . . . 0.0 111.898 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 64.0 10.78 41.64 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 121.047 -0.597 . . . . 0.0 112.055 -178.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.428 ' CZ2' ' HA ' ' A' ' 16' ' ' PRO . 70.4 t90 -102.89 132.56 49.02 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.876 0.369 . . . . 0.0 111.087 -177.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.667 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . 1.6 t70 -112.48 135.29 21.47 Favored Pre-proline 0 C--N 1.324 -0.536 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 174.334 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.428 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 84.2 Cg_exo -45.27 -57.74 1.96 Allowed 'Trans proline' 0 CA--C 1.533 0.452 0 C-N-CA 123.853 3.035 . . . . 0.0 114.326 -172.484 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -92.49 -24.01 18.93 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.625 -174.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.667 ' HB3' ' HB3' ' A' ' 15' ' ' ASP . 54.2 t30 -89.93 -31.84 17.09 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.527 -172.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.55 -164.03 18.84 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.989 -0.624 . . . . 0.0 111.891 -179.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.525 ' HB3' HD21 ' A' ' 25' ' ' LEU . 35.5 m-85 -75.68 134.22 40.61 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 177.215 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.404 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 11.8 t0 -78.18 113.92 16.59 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 175.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.612 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 4.5 m -69.43 -9.74 12.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.771 -177.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -82.46 -46.67 13.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.281 174.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -102.65 42.09 1.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.279 178.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.612 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 15.3 mt -76.0 125.13 28.54 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.309 174.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.562 ' HB3' HD21 ' A' ' 29' ' ' LEU . 7.3 t70 -55.68 132.6 72.01 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.875 175.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 26' ' ' ASP . 73.5 Cg_exo -49.47 -34.31 32.85 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 124.074 3.183 . . . . 0.0 113.978 -175.709 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -86.36 -39.59 16.28 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 -177.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.763 HD13 HD21 ' A' ' 62' ' ' LEU . 7.9 mp -53.72 -49.39 68.22 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 120.919 0.39 . . . . 0.0 110.689 169.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -53.32 -43.78 67.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.125 179.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.428 ' HB3' ' HE2' ' A' ' 69' ' ' MET . 8.8 t -64.23 -49.87 70.24 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.449 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.1 tp -63.86 -51.52 64.23 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.134 -175.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.553 ' HB3' ' HB ' ' A' ' 38' ' ' ILE . 14.3 m-30 -61.05 -30.71 70.49 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.304 -173.478 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.3 t -63.16 -42.22 99.39 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 121.095 0.474 . . . . 0.0 110.031 175.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 47.9 mtt180 -65.8 -39.56 91.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.925 176.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.403 ' HA ' ' HE2' ' B' ' 84' ' ' MET . . . -76.47 -10.56 59.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.254 -0.884 . . . . 0.0 111.669 -175.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.91 -10.9 66.2 Favored Glycine 0 C--N 1.33 0.241 0 C-N-CA 121.048 -0.596 . . . . 0.0 112.513 176.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.947 HD12 HD11 ' A' ' 52' ' ' ILE . 6.9 mt -66.53 106.76 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 120.864 0.364 . . . . 0.0 110.972 -178.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.9 m -91.49 178.68 5.88 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.95 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.468 ' HG3' HG11 ' A' ' 22' ' ' VAL . 33.8 tt0 -46.41 -53.48 10.95 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 123.432 0.458 . . . . 0.0 111.917 -179.018 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.71 -40.73 93.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.116 -177.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 1.038 ' HG2' HG23 ' A' ' 48' ' ' THR . 33.8 tt0 -72.14 -32.53 67.0 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.916 0.389 . . . . 0.0 110.491 -176.147 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.642 ' HG ' HG22 ' A' ' 38' ' ' ILE . 34.5 mt -71.34 -24.93 62.2 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.544 174.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.1 p -100.39 19.32 16.93 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.739 0.78 . . . . 0.0 110.136 179.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.612 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 29.8 t70 -86.31 155.09 20.79 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.898 173.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.31 -60.27 2.32 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -176.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -78.94 -37.21 40.25 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.427 -173.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 1.038 HG23 ' HG2' ' A' ' 42' ' ' GLN . 35.0 m -55.58 -58.96 5.62 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.715 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 82.1 p -60.82 -42.42 97.65 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.847 0.356 . . . . 0.0 111.589 -174.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.12 -37.93 78.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.682 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 1.019 HD11 HD12 ' B' ' 92' ' ' ILE . 93.8 mt -88.64 -21.57 23.9 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.798 -178.112 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.947 HD11 HD12 ' A' ' 38' ' ' ILE . 60.7 mt -62.87 -47.28 93.58 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.324 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 167.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -66.89 -35.98 81.24 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.935 177.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.585 ' HB3' ' HA ' ' A' ' 51' ' ' LEU . 30.9 t70 -59.64 -32.97 70.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.488 0.661 . . . . 0.0 109.988 174.499 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.706 ' HE1' ' HG2' ' B' ' 82' ' ' ARG . 26.2 t80 -69.48 -44.95 70.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.723 175.548 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.626 HG22 HD23 ' A' ' 62' ' ' LEU . 98.8 mt -63.34 -41.62 93.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.144 178.395 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -63.9 -41.02 97.81 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.889 174.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.482 ' HB3' ' O ' ' A' ' 55' ' ' PHE . 30.1 t70 -51.55 -37.1 47.97 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.852 173.688 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.589 HE22 ' NE ' ' B' ' 82' ' ' ARG . 71.7 mm-40 -72.39 -27.67 62.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.305 0.574 . . . . 0.0 110.606 176.698 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.73 -5.25 12.83 Favored Glycine 0 N--CA 1.446 -0.648 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.627 -176.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 131.89 -175.71 19.61 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.312 178.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.763 HD21 HD13 ' A' ' 29' ' ' LEU . 82.7 mt -60.07 -46.14 90.57 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 122.612 0.365 . . . . 0.0 111.727 -175.139 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.17 -31.98 70.63 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.631 -178.268 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.13 -40.53 78.23 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.932 0.396 . . . . 0.0 110.472 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.561 HG11 HG13 ' B' ' 79' ' ' VAL . 81.4 t -62.71 -37.37 78.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.437 0.637 . . . . 0.0 110.341 177.2 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 43.2 mtt85 -63.37 -28.38 69.95 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.906 177.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -80.0 -37.87 33.28 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.53 176.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -55.32 -39.22 69.7 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 120.816 0.341 . . . . 0.0 111.626 175.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.428 ' HE2' ' HB3' ' A' ' 31' ' ' SER . 38.7 mtt -52.68 -24.46 8.6 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.338 174.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.2 mtp180 . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.634 178.328 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . 0.652 HG12 ' CZ ' ' A' ' 55' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.47 0.537 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -53.76 -51.77 62.32 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -171.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -69.85 -27.99 65.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.733 0.778 . . . . 0.0 109.645 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . 0.706 ' HG2' ' HE1' ' A' ' 55' ' ' PHE . 66.8 ttt180 -76.75 -17.19 59.21 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 114.672 -1.149 . . . . 0.0 109.744 -176.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . 0.746 HD11 HD11 ' A' ' 38' ' ' ILE . 0.5 OUTLIER -79.78 -43.46 22.44 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.225 -179.682 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' MET . . . . . 0.403 ' HE2' ' HA ' ' A' ' 36' ' ' ALA . 47.9 mtt -59.55 -42.13 91.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.019 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . 0.593 ' O ' ' HG2' ' B' ' 89' ' ' GLU . 15.9 mm100 -62.72 -51.85 65.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.895 177.282 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . 0.493 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 58.1 t60 -59.27 -32.42 70.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.29 -175.264 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . 0.743 HD22 HG12 ' B' ' 92' ' ' ILE . 88.9 mt -80.5 -47.47 14.22 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.943 0.401 . . . . 0.0 110.756 178.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.24 -31.88 65.99 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.121 -179.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . 0.593 ' HG2' ' O ' ' B' ' 85' ' ' GLN . 19.9 mm-40 -60.3 -26.94 66.91 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 179.012 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -102.42 -33.37 9.57 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.764 -0.374 . . . . 0.0 111.558 -176.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 117.78 25.52 3.06 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.334 -0.936 . . . . 0.0 112.908 178.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . 1.019 HD12 HD11 ' A' ' 51' ' ' LEU . 1.6 mp -49.36 141.13 2.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 121.166 0.508 . . . . 0.0 111.666 176.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 . . . . . 0 N--CA 1.445 -0.676 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.944 178.804 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.635 HG13 HD13 ' A' ' 62' ' ' LEU . 20.9 m . . . . . 0 N--CA 1.479 1.007 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 67.6 25.21 73.97 Favored Glycine 0 C--N 1.333 0.401 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.465 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 76.6 t90 -92.42 134.16 35.2 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.241 0.544 . . . . 0.0 111.116 -177.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -113.89 135.12 22.02 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 174.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_endo -57.1 -25.0 61.37 Favored 'Trans proline' 0 N--CA 1.474 0.378 0 C-N-CA 123.516 2.81 . . . . 0.0 113.99 -175.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -104.46 -49.26 3.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.886 0.374 . . . . 0.0 111.504 -178.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.559 ' O ' ' HA ' ' A' ' 44' ' ' THR . 9.2 m120 -88.77 -5.92 57.75 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -173.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 78.88 -146.01 29.19 Favored Glycine 0 N--CA 1.443 -0.883 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.908 175.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.643 ' HB3' HD22 ' A' ' 25' ' ' LEU . 93.1 m-85 -80.86 125.3 29.94 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 -178.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -67.44 102.48 1.13 Allowed 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 176.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.591 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 16.9 m -63.55 -27.78 43.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -171.324 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -91.31 -5.55 54.47 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.77 -179.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -120.41 21.78 11.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.106 174.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.643 HD22 ' HB3' ' A' ' 20' ' ' PHE . 16.0 mt -70.03 138.8 52.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.594 -178.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.434 ' HB3' ' HG ' ' A' ' 29' ' ' LEU . 5.7 t70 -63.82 139.22 97.59 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.668 172.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -42.2 -49.88 5.73 Favored 'Trans proline' 0 C--O 1.237 0.43 0 C-N-CA 123.156 2.571 . . . . 0.0 113.621 -177.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -68.76 -39.63 80.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.701 -0.227 . . . . 0.0 110.562 -178.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.434 ' HG ' ' HB3' ' A' ' 26' ' ' ASP . 85.8 mt -62.49 -45.22 93.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.894 0.378 . . . . 0.0 110.164 177.179 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.1 tpt180 -57.26 -39.65 76.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.238 178.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.552 ' HB3' ' HE2' ' A' ' 69' ' ' MET . 1.9 t -73.51 -48.18 35.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.517 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 47.0 tp -60.71 -56.98 14.77 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 112.751 0.648 . . . . 0.0 112.751 -173.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.434 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 13.7 m-30 -59.62 -34.47 72.81 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.334 -171.318 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.7 m -64.5 -41.93 96.14 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.92 174.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 33.8 mtp85 -64.8 -39.36 93.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.016 177.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.39 -13.81 62.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.854 -176.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.59 -15.07 58.9 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.63 -0.795 . . . . 0.0 111.602 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.711 HD12 HD11 ' A' ' 52' ' ' ILE . 12.4 mt -64.63 106.68 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 CA-C-O 120.989 0.423 . . . . 0.0 110.179 177.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.1 m -78.03 169.86 17.57 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.321 178.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -64.71 -26.44 68.37 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.849 0.357 . . . . 0.0 111.161 -175.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.62 -44.64 89.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.58 0.705 . . . . 0.0 110.023 172.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.553 ' HB3' HG23 ' A' ' 48' ' ' THR . 53.6 mt-30 -68.73 -27.92 66.36 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.762 178.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 51.5 mt -76.56 -13.98 60.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.918 176.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.559 ' HA ' ' O ' ' A' ' 18' ' ' ASN . 7.1 p -108.19 18.55 20.98 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.689 0.757 . . . . 0.0 109.674 173.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.579 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 27.0 t70 -90.58 157.09 17.69 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 114.796 -1.093 . . . . 0.0 110.346 175.145 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.28 -68.99 0.53 Allowed 'General case' 0 C--O 1.237 0.436 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 -177.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -67.15 -38.9 86.3 Favored 'General case' 0 CA--C 1.519 -0.247 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.395 -175.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.661 ' O ' HG13 ' A' ' 52' ' ' ILE . 25.7 m -56.27 -60.27 3.75 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.178 -0.209 . . . . 0.0 111.325 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.2 m -62.56 -39.57 94.07 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -175.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -61.56 -39.57 91.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.088 0.47 . . . . 0.0 110.324 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.562 ' HA ' ' HB3' ' A' ' 54' ' ' ASP . 36.6 mt -83.41 -19.91 35.14 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.844 -177.235 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.711 HD11 HD12 ' A' ' 38' ' ' ILE . 61.4 mt -66.11 -42.5 91.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 166.353 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -65.21 -39.91 93.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.401 0.619 . . . . 0.0 109.525 176.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.562 ' HB3' ' HA ' ' A' ' 51' ' ' LEU . 18.9 t70 -61.85 -35.7 79.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.74 173.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.58 ' HE1' ' HG3' ' B' ' 82' ' ' ARG . 33.6 t80 -63.94 -46.19 85.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.003 176.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.59 HG22 HD11 ' A' ' 62' ' ' LEU . 98.5 mt -61.15 -43.95 97.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.353 179.026 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -60.53 -44.4 96.12 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.758 172.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -54.81 -37.17 65.78 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.605 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 67.0 mm-40 -76.77 -17.72 58.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.624 179.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.12 3.62 13.01 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.491 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 122.89 -175.05 16.51 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.3 177.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.635 HD13 HG13 ' A' ' 12' ' ' VAL . 4.0 mm? -64.23 -38.58 91.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.962 0.41 . . . . 0.0 111.662 -175.193 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.539 ' O ' ' HG2' ' A' ' 67' ' ' GLN . 28.5 mm-40 -65.7 -35.01 79.55 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.412 -174.283 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.74 -39.31 93.41 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.319 0.581 . . . . 0.0 110.221 178.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.57 HG11 HG12 ' B' ' 79' ' ' VAL . 76.2 t -65.35 -44.47 94.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.305 -0.862 . . . . 0.0 110.507 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.429 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 91.0 mtt-85 -61.62 -30.9 71.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.838 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.539 ' HG2' ' O ' ' A' ' 63' ' ' GLU . 79.7 mm-40 -79.29 -43.59 23.34 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.168 -177.213 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.444 ' HB2' HG23 ' B' ' 79' ' ' VAL . 8.7 mt-10 -50.19 -36.41 30.43 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 123.022 0.202 . . . . 0.0 111.344 -179.407 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.552 ' HE2' ' HB3' ' A' ' 31' ' ' SER . 32.1 mtt -52.37 -40.65 62.28 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.682 179.381 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.258 -176.439 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . 0.57 HG12 HG11 ' A' ' 65' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.467 0.404 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -49.97 -49.95 48.54 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -170.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -72.0 -33.23 67.93 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 121.342 0.592 . . . . 0.0 110.172 -177.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . 0.58 ' HG3' ' HE1' ' A' ' 55' ' ' PHE . 8.5 tpt180 -69.47 -21.08 63.73 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.086 -178.109 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . 0.503 ' HG ' ' CE2' ' A' ' 55' ' ' PHE . 1.7 mt -74.35 -43.35 56.98 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.171 179.46 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 55.2 mtt -51.43 -45.07 62.51 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.531 -179.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -71.18 -39.54 71.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.31 -178.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . 0.483 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 39.8 t60 -66.58 -32.34 73.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 -174.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . 0.434 HD23 ' O ' ' B' ' 83' ' ' LEU . 0.3 OUTLIER -78.54 -39.29 38.3 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.926 0.394 . . . . 0.0 110.367 174.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.65 -34.26 69.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.632 -178.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -61.2 -23.3 65.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.541 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -117.35 8.25 13.05 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -173.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 70.46 30.79 68.69 Favored Glycine 0 CA--C 1.521 0.446 0 C-N-CA 120.646 -0.788 . . . . 0.0 113.663 175.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . 0.548 HD12 HD12 ' A' ' 51' ' ' LEU . 1.5 mp -48.07 149.32 0.54 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 123.404 0.682 . . . . 0.0 112.203 174.565 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.858 178.619 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.713 HG11 HD22 ' A' ' 62' ' ' LEU . 13.9 m . . . . . 0 N--CA 1.479 1.009 0 N-CA-C 114.093 1.146 . . . . 0.0 114.093 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 65.58 23.7 70.62 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.481 -0.866 . . . . 0.0 111.788 -177.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.415 ' CD1' ' HA2' ' A' ' 19' ' ' GLY . 59.4 t90 -79.78 130.8 35.63 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.104 0.478 . . . . 0.0 110.782 -177.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -102.49 133.62 20.41 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.721 174.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -47.15 -32.08 13.13 Favored 'Trans proline' 0 CA--C 1.529 0.257 0 C-N-CA 124.293 3.329 . . . . 0.0 114.277 -177.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -105.18 -48.7 3.64 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -176.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.558 ' O ' ' HA ' ' A' ' 44' ' ' THR . 9.3 m120 -96.69 -1.3 46.87 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -173.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.415 ' HA2' ' CD1' ' A' ' 14' ' ' TRP . . . 72.52 -133.31 19.39 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.856 -0.687 . . . . 0.0 114.107 172.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.503 ' HB2' ' HB3' ' A' ' 43' ' ' LEU . 93.7 m-85 -83.42 144.85 29.33 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.128 0.49 . . . . 0.0 111.559 -172.564 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.448 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 18.2 t70 -81.68 111.64 18.13 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.147 173.293 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.645 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 29.7 m -88.24 -14.48 9.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -169.373 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -87.8 -19.96 26.78 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.433 -0.507 . . . . 0.0 109.914 176.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -126.22 52.56 1.7 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.371 0.605 . . . . 0.0 110.233 174.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.645 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 9.8 mt -80.23 135.19 36.2 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.866 178.408 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.564 ' HB3' HD12 ' A' ' 29' ' ' LEU . 1.8 t70 -58.9 132.79 86.86 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.713 177.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo -43.21 -52.72 4.68 Favored 'Trans proline' 0 C--O 1.238 0.486 0 C-N-CA 123.25 2.633 . . . . 0.0 113.757 -175.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -69.17 -43.52 74.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.616 -176.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.564 HD12 ' HB3' ' A' ' 26' ' ' ASP . 92.5 mt -61.0 -41.8 97.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.792 0.33 . . . . 0.0 110.574 177.278 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -59.13 -43.97 92.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.43 178.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.504 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 5.2 t -62.37 -49.38 75.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.75 177.534 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.463 HD11 HG22 ' B' ' 79' ' ' VAL . 14.3 tp -58.87 -61.07 2.9 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.164 -0.926 . . . . 0.0 112.305 -176.256 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.448 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 11.6 m-30 -60.3 -33.09 71.87 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.846 -171.272 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.9 t -65.63 -42.23 91.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.754 176.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.504 ' HG3' ' O ' ' A' ' 31' ' ' SER . 84.0 mtt180 -64.15 -33.22 75.29 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.424 0.63 . . . . 0.0 110.04 177.56 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.87 -7.87 56.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.007 -0.997 . . . . 0.0 112.263 -173.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.18 2.46 83.3 Favored Glycine 0 CA--C 1.511 -0.177 0 C-N-CA 120.422 -0.894 . . . . 0.0 112.158 178.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.778 HD11 HD11 ' B' ' 83' ' ' LEU . 19.2 mt -71.17 108.82 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.656 0 CA-C-O 120.893 0.377 . . . . 0.0 110.319 176.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.9 t -62.31 155.35 25.2 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.224 177.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -57.24 -32.89 67.01 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 176.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.33 -18.74 64.57 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 121.406 0.622 . . . . 0.0 111.12 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.622 ' HB3' HG23 ' A' ' 48' ' ' THR . 52.3 mt-30 -88.92 -25.72 21.94 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.225 -177.196 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.503 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . 98.2 mt -77.41 -7.01 55.45 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.407 174.243 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.558 ' HA ' ' O ' ' A' ' 18' ' ' ASN . 25.6 p -110.45 1.95 18.61 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.417 173.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.57 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 28.7 t70 -77.16 153.27 34.34 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.097 176.474 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.7 -60.72 2.14 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 111.569 0.211 . . . . 0.0 111.569 -177.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -79.78 -39.18 31.45 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.339 -0.544 . . . . 0.0 110.832 -172.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.622 HG23 ' HB3' ' A' ' 42' ' ' GLN . 25.9 m -53.67 -51.55 62.82 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 120.775 0.322 . . . . 0.0 110.921 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.3 m -62.01 -40.24 94.98 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.133 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -65.5 -41.98 92.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.829 -178.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.49 HD13 ' HA ' ' A' ' 51' ' ' LEU . 1.2 mm? -69.9 -33.56 72.36 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 121.086 -0.246 . . . . 0.0 111.412 178.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.762 HD11 HD12 ' A' ' 38' ' ' ILE . 96.4 mt -63.84 -45.71 96.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.795 0.331 . . . . 0.0 110.743 172.558 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -62.43 -45.3 93.72 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 177.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -59.21 -36.85 76.12 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.387 174.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.697 ' HE1' ' HG2' ' B' ' 82' ' ' ARG . 37.6 t80 -58.82 -49.09 79.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.594 174.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 76.7 mt -64.17 -45.9 95.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.181 178.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -57.94 -41.28 82.46 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.331 175.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -59.4 -33.93 71.82 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.06 -178.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.553 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 55.1 mm-40 -76.3 -18.99 58.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.134 -178.111 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.71 -3.74 14.94 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.94 -0.647 . . . . 0.0 111.582 -175.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 127.8 -165.76 20.72 Favored Glycine 0 N--CA 1.443 -0.845 0 C-N-CA 121.07 -0.586 . . . . 0.0 112.335 176.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.713 HD22 HG11 ' A' ' 12' ' ' VAL . 8.8 mp -70.83 -41.57 71.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.171 0.51 . . . . 0.0 111.046 -172.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.49 ' CD ' ' H ' ' A' ' 63' ' ' GLU . 1.5 mp0 -56.96 -33.66 67.27 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.564 -178.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.0 -46.84 64.28 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.555 -176.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.754 ' HB ' HG11 ' B' ' 79' ' ' VAL . 3.8 m -68.15 -28.67 41.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.764 0.316 . . . . 0.0 110.906 -175.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 64.7 mtt-85 -70.68 -21.57 62.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.254 0.55 . . . . 0.0 109.8 178.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.441 ' O ' ' HG2' ' A' ' 70' ' ' ARG . 43.9 mt-30 -86.0 -29.31 23.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.333 178.421 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.43 ' HG3' HG12 ' B' ' 79' ' ' VAL . 3.0 mm-40 -59.61 -32.84 70.78 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.056 0.455 . . . . 0.0 110.51 175.226 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.4 ' HE2' ' HB3' ' A' ' 31' ' ' SER . 38.1 mtt -54.46 -23.8 17.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.232 -0.894 . . . . 0.0 111.356 176.146 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.441 ' HG2' ' O ' ' A' ' 67' ' ' GLN . 11.2 ptm180 . . . . . 0 N--CA 1.448 -0.526 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.751 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . 0.754 HG11 ' HB ' ' A' ' 65' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.469 0.482 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -54.53 -45.51 73.4 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 -170.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -67.66 -35.55 79.08 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.617 0.722 . . . . 0.0 109.962 179.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . 0.697 ' HG2' ' HE1' ' A' ' 55' ' ' PHE . 69.4 ttt180 -67.06 -26.01 66.53 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-N 114.805 -1.089 . . . . 0.0 110.174 -179.587 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . 0.778 HD11 HD11 ' A' ' 38' ' ' ILE . 3.3 mt -69.53 -47.35 64.02 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.565 176.117 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 61.9 mtt -52.6 -43.45 65.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.513 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . 0.527 ' O ' ' HG3' ' B' ' 89' ' ' GLU . 13.4 mm-40 -64.15 -35.94 82.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.967 179.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . 0.554 ' HA ' ' OE2' ' B' ' 89' ' ' GLU . 36.4 t60 -77.0 -39.51 50.11 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.805 -172.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . 0.569 HD23 ' O ' ' B' ' 83' ' ' LEU . 0.6 OUTLIER -68.89 -30.44 68.94 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 120.301 -0.56 . . . . 0.0 109.925 177.456 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.16 -22.94 63.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.213 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . 0.554 ' OE2' ' HA ' ' B' ' 86' ' ' HIS . 43.7 mt-10 -70.03 -15.67 63.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.726 -179.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -123.49 -41.1 2.3 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -169.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 120.15 31.82 1.24 Allowed Glycine 0 CA--C 1.516 0.152 0 C-N-CA 119.988 -1.101 . . . . 0.0 113.114 178.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . 0.542 ' HB ' ' HB3' ' B' ' 87' ' ' LEU . 1.7 mp -51.85 143.07 3.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 C-N-CA 123.421 0.688 . . . . 0.0 112.25 178.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 C--O 1.232 0.183 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.74 -179.126 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.818 HG22 HD11 ' A' ' 62' ' ' LEU . 22.0 t . . . . . 0 N--CA 1.474 0.729 0 CA-C-O 121.645 0.736 . . . . 0.0 111.971 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 166.25 35.82 0.02 OUTLIER Glycine 0 N--CA 1.442 -0.906 0 N-CA-C 108.854 -1.698 . . . . 0.0 108.854 -176.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.658 ' CZ2' ' HA ' ' A' ' 16' ' ' PRO . 49.2 t90 -112.35 143.37 43.58 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 114.88 -0.66 . . . . 0.0 111.452 -171.552 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -113.48 131.75 22.83 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.57 175.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.658 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 19.8 Cg_endo -60.4 -22.3 70.85 Favored 'Trans proline' 0 N--CA 1.477 0.512 0 C-N-CA 123.563 2.842 . . . . 0.0 114.689 -172.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -103.68 -41.97 5.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.972 0.415 . . . . 0.0 111.066 -178.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -87.2 -82.58 0.21 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.697 -178.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.518 ' HA3' ' HA ' ' A' ' 44' ' ' THR . . . 164.11 -146.71 11.77 Favored Glycine 0 N--CA 1.443 -0.846 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.271 -178.398 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.479 ' HB2' ' HG ' ' A' ' 43' ' ' LEU . 72.2 m-85 -78.95 143.56 35.66 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.016 0.436 . . . . 0.0 111.025 -179.087 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -73.42 91.08 1.73 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.096 175.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.699 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 16.0 m -66.03 -19.15 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.282 -174.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -91.9 6.81 44.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.879 0.371 . . . . 0.0 110.818 178.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -134.75 20.76 3.55 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.798 172.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.699 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 14.4 mt -65.97 139.1 58.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.532 0.682 . . . . 0.0 112.08 -177.042 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -78.15 140.91 61.85 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.288 178.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -43.58 -47.07 9.74 Favored 'Trans proline' 0 C--O 1.238 0.517 0 C-N-CA 122.994 2.463 . . . . 0.0 113.355 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -69.84 -47.31 63.19 Favored 'General case' 0 CA--C 1.516 -0.339 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.773 -177.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.8 mp -50.26 -49.71 52.33 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.719 0.295 . . . . 0.0 110.966 172.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.448 ' HD3' ' O ' ' A' ' 30' ' ' ARG . 1.7 tmt_? -58.05 -41.42 83.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.327 -179.345 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.407 ' HB3' ' HE3' ' A' ' 69' ' ' MET . 3.8 t -68.74 -49.02 62.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.189 0.518 . . . . 0.0 110.264 179.074 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.95 HD22 HG11 ' B' ' 79' ' ' VAL . 1.9 tm? -59.87 -56.86 16.5 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.531 -174.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.496 ' HA ' HD13 ' A' ' 38' ' ' ILE . 17.0 m-85 -60.65 -40.01 90.42 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.627 -177.329 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 36.8 t -63.94 -39.54 94.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.749 177.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -63.46 -39.46 94.53 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-O 121.144 0.497 . . . . 0.0 110.767 176.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.77 -18.36 62.12 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.413 -177.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 107.39 -4.92 35.27 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.385 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.778 HD12 HD11 ' A' ' 52' ' ' ILE . 7.0 mt -72.18 115.24 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 122.325 0.25 . . . . 0.0 110.61 178.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.4 t -91.32 178.76 5.88 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 176.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.402 ' HG3' HG11 ' A' ' 22' ' ' VAL . 36.2 tt0 -57.52 -47.65 81.39 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -172.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.66 -42.9 77.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.746 0.308 . . . . 0.0 110.857 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.587 ' HG2' HG23 ' A' ' 48' ' ' THR . 33.9 tt0 -57.2 -40.76 78.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.449 0.642 . . . . 0.0 109.788 175.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.479 ' HG ' ' HB2' ' A' ' 20' ' ' PHE . 34.9 tp -74.51 -2.35 25.33 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.221 -178.659 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.518 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 12.3 p -125.03 23.99 7.64 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.696 0.76 . . . . 0.0 109.949 174.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.661 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 27.2 t70 -86.13 142.36 28.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.357 172.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.84 -58.44 7.59 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -174.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -76.26 -41.0 50.4 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.623 -176.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.661 ' HB ' ' HB3' ' A' ' 45' ' ' ASP . 37.1 m -52.98 -55.8 20.78 Favored 'General case' 0 N--CA 1.457 -0.089 0 CA-C-O 120.54 0.21 . . . . 0.0 111.49 178.233 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.1 m -64.17 -42.39 96.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.798 0.332 . . . . 0.0 111.452 -176.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -60.95 -35.7 77.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.377 0.608 . . . . 0.0 110.158 -178.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.737 HD11 HD13 ' B' ' 92' ' ' ILE . 84.9 mt -86.24 -29.46 23.11 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.789 -177.534 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.778 HD11 HD12 ' A' ' 38' ' ' ILE . 45.5 mt -62.31 -47.83 91.23 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 C-N-CA 120.534 -0.467 . . . . 0.0 110.453 169.344 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.434 ' HE1' HG21 ' A' ' 12' ' ' VAL . 61.0 t80 -61.05 -43.73 98.44 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 177.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -55.89 -43.59 77.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.139 175.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.648 ' HE1' ' HG3' ' B' ' 82' ' ' ARG . 40.3 t80 -56.72 -55.08 38.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.282 175.602 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 52' ' ' ILE . 62.7 mt -59.18 -44.35 91.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.829 -176.164 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -64.55 -40.16 95.07 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.876 177.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -61.87 -38.68 89.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.15 178.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.543 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 34.1 mm-40 -66.8 -16.64 64.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.505 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.39 0.18 16.18 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.679 -0.772 . . . . 0.0 111.685 -177.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 123.48 -171.88 16.08 Favored Glycine 0 N--CA 1.441 -0.987 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.657 177.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.818 HD11 HG22 ' A' ' 12' ' ' VAL . 8.1 mp -71.16 -46.43 61.47 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.086 0.469 . . . . 0.0 110.271 -174.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -58.55 -32.12 68.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.376 -177.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.83 -53.82 44.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.945 -174.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.672 ' O ' ' HG3' ' A' ' 69' ' ' MET . 0.8 OUTLIER -69.33 -32.86 55.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 C-N-CA 120.522 -0.471 . . . . 0.0 109.918 -175.379 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.474 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 73.2 mtp180 -62.61 -28.68 70.06 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.38 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -82.22 -32.61 29.71 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.254 178.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.423 ' HG3' ' HA ' ' A' ' 65' ' ' VAL . 7.3 mt-10 -66.66 -28.85 68.79 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-O 120.871 0.367 . . . . 0.0 110.189 176.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.672 ' HG3' ' O ' ' A' ' 65' ' ' VAL . 66.9 mtp -61.8 -29.52 70.21 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.704 0.764 . . . . 0.0 109.587 175.637 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.2 mtp85 . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 114.9 -1.045 . . . . 0.0 108.895 -179.615 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . 0.95 HG11 HD22 ' A' ' 32' ' ' LEU . 2.5 p . . . . . 0 CA--C 1.536 0.405 0 CA-C-O 121.499 0.666 . . . . 0.0 110.077 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.479 ' O ' ' HG3' ' B' ' 84' ' ' MET . . . -45.04 -56.37 4.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.944 170.012 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.72 -28.9 67.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.057 0.456 . . . . 0.0 110.455 -178.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . 0.648 ' HG3' ' HE1' ' A' ' 55' ' ' PHE . 7.9 tpt180 -66.71 -33.9 76.66 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.721 178.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . 0.605 HD12 ' CD2' ' A' ' 55' ' ' PHE . 22.1 tp -77.87 -38.39 46.08 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.499 177.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' MET . . . . . 0.479 ' HG3' ' O ' ' B' ' 80' ' ' ALA . 65.9 mtt -49.36 -48.76 46.47 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.296 0.57 . . . . 0.0 110.828 178.282 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . 0.561 ' O ' ' HG3' ' B' ' 89' ' ' GLU . 43.9 mt-30 -63.74 -39.85 95.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.941 -177.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . 0.585 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 58.8 t60 -66.09 -29.25 69.54 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.739 -173.5 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . 0.429 ' O ' HD11 ' B' ' 92' ' ' ILE . 0.6 OUTLIER -80.15 -35.08 37.09 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.38 174.653 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.67 -22.63 66.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.819 -176.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . 0.561 ' HG3' ' O ' ' B' ' 85' ' ' GLN . 39.2 mt-10 -63.01 -32.02 73.28 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.604 179.5 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 76.2 m-70 -101.83 -74.17 0.63 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -168.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 164.24 30.27 0.02 OUTLIER Glycine 0 N--CA 1.454 -0.16 0 C-N-CA 120.345 -0.931 . . . . 0.0 112.466 179.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . 0.737 HD13 HD11 ' A' ' 51' ' ' LEU . 1.7 mp -53.5 143.5 5.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 C-N-CA 123.371 0.668 . . . . 0.0 112.259 -177.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . 0.51 ' O ' ' HG3' ' A' ' 42' ' ' GLN . 1.1 mp0 . . . . . 0 C--N 1.331 -0.232 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 176.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.575 HG21 HD13 ' A' ' 29' ' ' LEU . 6.6 p . . . . . 0 N--CA 1.477 0.879 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 159.75 38.77 0.02 OUTLIER Glycine 0 N--CA 1.443 -0.864 0 N-CA-C 110.487 -1.045 . . . . 0.0 110.487 -178.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.547 ' CZ2' ' HA ' ' A' ' 16' ' ' PRO . 49.2 t90 -121.43 133.31 55.07 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.205 -0.497 . . . . 0.0 110.976 -174.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.493 ' HB3' ' HB2' ' A' ' 18' ' ' ASN . 10.8 t70 -108.85 138.73 20.4 Favored Pre-proline 0 C--N 1.323 -0.57 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 173.408 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.547 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 1.2 Cg_endo -43.25 -51.5 5.71 Favored 'Trans proline' 0 CA--C 1.532 0.419 0 C-N-CA 124.214 3.276 . . . . 0.0 113.742 -173.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -104.24 -31.09 9.76 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -177.627 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.493 ' HB2' ' HB3' ' A' ' 15' ' ' ASP . 44.2 m-80 -80.64 -16.31 54.37 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.824 0.345 . . . . 0.0 111.305 -175.34 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 83.26 -162.75 40.54 Favored Glycine 0 N--CA 1.442 -0.959 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.545 177.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.464 ' HB3' HD23 ' A' ' 25' ' ' LEU . 63.0 m-85 -74.08 141.06 45.7 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.122 0.487 . . . . 0.0 110.061 178.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.04 96.25 4.37 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 174.379 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.633 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 9.6 p -61.71 -17.76 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.261 0.553 . . . . 0.0 110.797 -179.698 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -84.05 -11.95 55.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.984 176.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -132.41 27.22 4.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.869 0.366 . . . . 0.0 110.875 -177.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.633 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 19.5 mt -71.36 135.98 47.57 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.155 0.502 . . . . 0.0 112.032 -176.249 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -59.42 130.71 87.67 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 114.922 -1.036 . . . . 0.0 109.691 172.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_exo -51.62 -33.49 48.91 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 123.939 3.092 . . . . 0.0 113.817 -176.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -79.9 -45.04 19.33 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.575 HD13 HG21 ' A' ' 12' ' ' VAL . 90.4 mt -60.76 -41.07 94.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.751 0.31 . . . . 0.0 110.863 176.491 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -60.6 -32.51 71.63 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.232 0.539 . . . . 0.0 109.957 179.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.596 ' HB3' ' HE3' ' A' ' 69' ' ' MET . 7.4 t -74.97 -44.81 46.19 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.834 176.509 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.663 HD11 ' HB ' ' B' ' 79' ' ' VAL . 1.5 tm? -68.85 -54.98 12.6 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.936 -1.029 . . . . 0.0 112.14 -173.319 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.443 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 22.0 m-30 -53.72 -37.72 63.6 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.942 -178.06 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 46.1 t -61.92 -42.21 98.83 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.533 178.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 73.1 mtp85 -63.83 -35.72 81.55 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.178 0.513 . . . . 0.0 110.187 175.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.405 ' O ' ' HG2' ' B' ' 84' ' ' MET . . . -74.54 -5.07 40.7 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.14 -0.936 . . . . 0.0 112.056 -174.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.99 -3.57 82.75 Favored Glycine 0 CA--C 1.509 -0.304 0 C-N-CA 120.702 -0.761 . . . . 0.0 111.535 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.89 HD12 HD11 ' A' ' 52' ' ' ILE . 33.2 mt -72.55 108.3 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.808 0 CA-C-N 115.357 -0.421 . . . . 0.0 110.178 176.271 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.0 t -94.42 -178.71 4.67 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.695 177.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -58.17 -39.17 78.19 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.821 0.343 . . . . 0.0 111.577 -175.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.3 -43.38 96.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.775 0.322 . . . . 0.0 111.451 177.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.557 ' HB3' HG23 ' A' ' 48' ' ' THR . 23.0 mt-30 -66.66 -34.58 78.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.642 -0.253 . . . . 0.0 111.184 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.601 HD13 HD13 ' A' ' 25' ' ' LEU . 53.0 mt -76.72 -8.0 56.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.81 0.338 . . . . 0.0 111.127 179.496 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.1 p -116.99 15.51 15.12 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.528 0.68 . . . . 0.0 109.679 175.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.596 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 31.5 t70 -90.77 156.92 17.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.395 178.506 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.14 -68.07 0.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.506 0.193 . . . . 0.0 111.504 -178.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -75.34 -35.81 61.13 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.973 -172.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.596 ' HB ' ' HB3' ' A' ' 45' ' ' ASP . 28.8 m -56.44 -60.04 4.1 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.277 178.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 14.5 m -58.02 -41.29 82.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.779 0.323 . . . . 0.0 111.109 -176.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.466 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 64.0 tttp -60.72 -40.82 93.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.659 -178.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.708 HD11 HD13 ' B' ' 92' ' ' ILE . 62.5 mt -84.39 -20.0 32.64 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.796 -177.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.89 HD11 HD12 ' A' ' 38' ' ' ILE . 59.7 mt -65.58 -47.1 87.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 CA-C-O 121.042 0.449 . . . . 0.0 109.82 167.03 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -63.71 -39.73 95.03 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 176.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.417 ' HB3' ' HA ' ' A' ' 51' ' ' LEU . 23.9 t70 -54.85 -40.79 70.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.161 173.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.671 ' HE1' ' HG2' ' B' ' 82' ' ' ARG . 41.5 t80 -61.35 -50.53 72.56 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.3 -0.863 . . . . 0.0 111.161 176.28 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.513 HG13 ' O ' ' A' ' 52' ' ' ILE . 51.3 mt -64.66 -41.57 92.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.713 -176.61 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -63.15 -38.72 92.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.794 176.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.419 ' HB3' ' O ' ' A' ' 55' ' ' PHE . 4.3 t70 -58.03 -41.2 82.72 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.417 177.575 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.605 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 64.8 mm-40 -69.5 -15.03 63.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.296 -176.044 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.48 -6.67 12.66 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.899 -0.667 . . . . 0.0 111.935 -177.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 128.74 -161.44 22.37 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.643 177.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.459 ' CD2' ' HB ' ' A' ' 12' ' ' VAL . 27.9 mt -74.32 -42.29 59.7 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.925 0.393 . . . . 0.0 110.934 -171.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.468 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 45.0 mt-10 -66.27 -25.08 66.7 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.898 -177.638 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.448 ' O ' ' HG2' ' A' ' 68' ' ' GLU . . . -65.63 -44.42 86.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.562 -177.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.495 HG11 HG13 ' B' ' 79' ' ' VAL . 97.3 t -64.9 -35.58 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.105 0.479 . . . . 0.0 110.656 -178.261 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -63.06 -29.79 71.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.754 176.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.468 ' HG3' ' O ' ' A' ' 63' ' ' GLU . 21.9 mt-30 -74.68 -41.51 60.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.477 179.194 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.587 ' HB2' HG23 ' B' ' 79' ' ' VAL . 4.3 mm-40 -59.64 -30.65 68.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.19 -177.407 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.596 ' HE3' ' HB3' ' A' ' 31' ' ' SER . 30.5 mtt -61.21 -27.1 68.18 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.393 178.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 . . . . . 0 C--N 1.323 -0.545 0 CA-C-O 121.378 0.609 . . . . 0.0 109.927 176.132 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . 0.663 ' HB ' HD11 ' A' ' 32' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.304 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.1 -64.96 0.65 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.616 0.722 . . . . 0.0 111.926 -178.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' GLN . . . . . 0.471 ' H ' ' NE2' ' B' ' 81' ' ' GLN . 2.0 mp0 -72.21 -25.31 61.61 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.457 -176.481 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . 0.671 ' HG2' ' HE1' ' A' ' 55' ' ' PHE . 39.7 ttm180 -66.0 -32.74 74.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.411 0.624 . . . . 0.0 109.968 176.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . 0.602 HD11 ' CD1' ' A' ' 38' ' ' ILE . 1.3 mt -71.47 -42.01 68.66 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.918 177.443 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' MET . . . . . 0.405 ' HG2' ' O ' ' A' ' 36' ' ' ALA . 58.2 mtt -49.54 -52.74 27.74 Favored 'General case' 0 CA--C 1.519 -0.222 0 O-C-N 123.677 0.61 . . . . 0.0 110.049 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -58.83 -42.23 88.76 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.34 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . 0.719 ' HA ' ' OE2' ' B' ' 89' ' ' GLU . 33.2 t60 -70.27 -23.25 62.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.76 -171.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . 0.462 ' HB3' ' HB ' ' B' ' 92' ' ' ILE . 0.2 OUTLIER -86.07 -42.65 13.75 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.068 173.719 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.83 -30.66 70.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.815 -177.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . 0.719 ' OE2' ' HA ' ' B' ' 86' ' ' HIS . 13.6 pt-20 -68.91 -18.1 64.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.64 0.257 . . . . 0.0 111.686 -178.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 67.5 m-70 -103.82 -41.41 5.91 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -177.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 127.58 16.84 2.21 Favored Glycine 0 CA--C 1.516 0.156 0 C-N-CA 120.165 -1.017 . . . . 0.0 112.795 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . 0.708 HD13 HD11 ' A' ' 51' ' ' LEU . 1.7 mp -46.96 143.82 0.84 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.424 0 C-N-CA 123.585 0.754 . . . . 0.0 112.579 178.208 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.867 177.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.509 HG23 HD11 ' A' ' 62' ' ' LEU . 2.5 t . . . . . 0 CA--C 1.536 0.423 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 64.61 22.32 67.83 Favored Glycine 0 CA--C 1.517 0.197 0 C-N-CA 120.9 -0.666 . . . . 0.0 112.23 -176.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 88.5 t90 -97.95 134.64 40.79 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.891 0.377 . . . . 0.0 110.754 -177.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.41 ' CG ' ' HD2' ' A' ' 16' ' ' PRO . 7.0 t70 -117.33 136.48 23.48 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.595 178.143 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.41 ' HD2' ' CG ' ' A' ' 15' ' ' ASP . 76.5 Cg_exo -29.15 -70.71 0.04 OUTLIER 'Trans proline' 0 CA--C 1.534 0.523 1 C-N-CA 125.59 4.193 . . . . 0.0 115.879 -173.053 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -103.42 -23.96 13.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.868 0.366 . . . . 0.0 111.206 -175.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -73.98 -30.77 62.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.788 0.328 . . . . 0.0 110.605 -177.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.67 -153.6 19.24 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.918 -0.658 . . . . 0.0 113.412 173.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -85.44 143.84 28.34 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.573 -0.313 . . . . 0.0 110.342 -179.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -71.71 85.22 0.91 Allowed 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 173.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.67 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 12.7 p -62.3 -24.76 35.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.679 -175.599 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.469 HD21 ' ND2' ' A' ' 24' ' ' ASN . 8.9 t30 -75.2 -36.18 61.45 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.094 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.469 ' ND2' HD21 ' A' ' 23' ' ' ASN . 40.6 m-80 -116.72 42.95 2.35 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.15 0.5 . . . . 0.0 110.389 179.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.67 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 5.6 mt -66.11 140.69 58.25 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.011 -179.155 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -58.45 131.05 84.94 Favored Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 173.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -47.94 -24.8 5.56 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 123.908 3.072 . . . . 0.0 114.504 -173.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.418 ' OD2' ' HG3' ' A' ' 69' ' ' MET . 10.9 t70 -84.94 -51.2 6.88 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 179.179 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.51 ' HG ' ' CZ ' ' A' ' 33' ' ' PHE . 9.5 mp -54.16 -44.36 71.39 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.961 0.41 . . . . 0.0 111.167 173.511 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.5 tpt180 -58.33 -24.84 60.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.732 178.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.7 t -90.05 -45.18 9.33 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.166 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.416 ' HB2' ' HE1' ' A' ' 69' ' ' MET . 1.7 tm? -69.14 -54.28 15.74 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.416 -172.252 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.51 ' CZ ' ' HG ' ' A' ' 29' ' ' LEU . 21.5 m-30 -55.9 -36.78 68.04 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.639 -174.412 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.6 t -63.72 -32.41 73.89 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.483 177.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.449 HH11 ' HD2' ' A' ' 35' ' ' ARG . 23.7 mtp85 -74.81 -27.3 60.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.152 0.501 . . . . 0.0 110.46 177.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.484 ' HB1' ' HB3' ' B' ' 83' ' ' LEU . . . -83.61 -14.79 51.2 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.433 -175.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 107.73 -9.07 37.41 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.257 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.904 HD12 HD11 ' A' ' 52' ' ' ILE . 7.7 mt -73.31 119.03 19.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.821 0.343 . . . . 0.0 111.552 -177.357 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 39.5 t -95.85 177.18 5.85 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.089 174.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.458 ' HG2' HG23 ' A' ' 22' ' ' VAL . 87.3 mt-10 -50.03 -54.22 21.7 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.148 0.499 . . . . 0.0 111.729 -178.148 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.71 -27.46 59.08 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.924 -173.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.555 ' HB3' HG23 ' A' ' 48' ' ' THR . 54.8 mt-30 -83.7 -30.4 26.79 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.263 -175.019 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.533 HD13 HD11 ' A' ' 25' ' ' LEU . 97.2 mt -73.42 -18.77 61.11 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.037 175.441 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 42.3 p -104.19 11.81 34.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.905 176.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.659 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 21.4 t70 -91.8 144.26 25.68 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.539 175.583 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.58 -69.41 0.21 Allowed 'General case' 0 C--O 1.239 0.529 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -172.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -71.26 -35.3 71.33 Favored 'General case' 0 CA--C 1.52 -0.179 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.243 -174.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.659 ' HB ' ' HB3' ' A' ' 45' ' ' ASP . 56.0 m -60.64 -50.53 73.15 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.919 -179.303 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.7 t -68.03 -44.74 75.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.294 -175.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -66.93 -31.75 72.55 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.984 -0.287 . . . . 0.0 111.092 -176.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.463 HD12 HD13 ' B' ' 92' ' ' ILE . 67.6 mt -76.14 -28.87 57.57 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.894 -0.322 . . . . 0.0 111.038 177.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.904 HD11 HD12 ' A' ' 38' ' ' ILE . 75.1 mt -69.19 -44.6 80.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 121.248 0.547 . . . . 0.0 110.337 170.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -61.44 -41.42 97.17 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.122 178.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -68.12 -29.24 68.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.923 176.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.875 ' HE1' ' HG3' ' B' ' 82' ' ' ARG . 20.1 t80 -63.76 -47.2 81.96 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.741 177.389 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.454 HD13 ' HZ ' ' A' ' 33' ' ' PHE . 58.5 mt -62.62 -35.9 72.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.437 0.637 . . . . 0.0 109.967 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -68.65 -47.35 66.79 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.978 175.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -52.4 -36.39 54.06 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.784 176.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -75.33 -11.86 60.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.606 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.76 -7.9 11.96 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.657 -0.782 . . . . 0.0 113.23 178.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 131.16 -171.08 21.16 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.441 -0.885 . . . . 0.0 112.399 178.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.509 HD11 HG23 ' A' ' 12' ' ' VAL . 84.8 mt -64.47 -48.4 75.39 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.633 0.217 . . . . 0.0 111.563 -174.523 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.577 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 26.9 mm-40 -60.37 -32.07 70.94 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.337 -177.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.87 -42.37 97.77 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.935 0.397 . . . . 0.0 111.369 -175.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.569 HG13 HG11 ' B' ' 79' ' ' VAL . 81.7 t -70.4 -41.21 78.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.379 0.609 . . . . 0.0 109.718 178.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.416 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 51.7 mtp180 -68.36 -22.08 64.68 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.516 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.577 ' HG3' ' O ' ' A' ' 63' ' ' GLU . 96.8 mt-30 -73.56 -44.01 58.43 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.323 174.48 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.532 ' HB2' HG23 ' B' ' 79' ' ' VAL . 23.9 mt-10 -63.87 -21.88 66.66 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.729 0.3 . . . . 0.0 111.59 -178.205 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.418 ' HG3' ' OD2' ' A' ' 28' ' ' ASP . 11.6 mmt -57.21 -27.58 62.11 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.824 171.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.1 mtp180 . . . . . 0 C--N 1.324 -0.514 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.466 -178.865 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . 0.569 HG11 HG13 ' A' ' 65' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.248 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.64 -62.58 1.54 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -177.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -71.85 -25.45 61.97 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.21 0.529 . . . . 0.0 110.709 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . 0.875 ' HG3' ' HE1' ' A' ' 55' ' ' PHE . 23.9 tpt180 -67.19 -26.95 66.88 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-O 121.522 0.677 . . . . 0.0 109.886 178.363 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . 0.734 HD11 HD11 ' A' ' 38' ' ' ILE . 0.5 OUTLIER -81.46 -40.67 22.95 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.518 179.818 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 63.5 mtt -52.16 -55.49 20.63 Favored 'General case' 0 N--CA 1.465 0.293 0 O-C-N 123.675 0.61 . . . . 0.0 110.688 -179.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -62.7 -31.49 72.41 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.273 -178.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . 0.465 ' HA ' ' OE1' ' B' ' 89' ' ' GLU . 65.1 t60 -77.05 -17.64 58.64 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 -175.253 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . 0.629 HD22 HG12 ' B' ' 92' ' ' ILE . 61.8 mt -94.52 -36.31 11.9 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.301 0.572 . . . . 0.0 110.227 174.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.53 -23.37 66.22 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.592 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . 0.634 ' HG3' ' CD2' ' B' ' 90' ' ' HIS . 10.1 pt-20 -73.68 -9.12 58.34 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.266 -0.425 . . . . 0.0 112.089 -178.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 90' ' ' HIS . . . . . 0.634 ' CD2' ' HG3' ' B' ' 89' ' ' GLU . 97.9 m-70 -118.44 -76.23 0.57 Allowed 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.809 -178.424 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 163.18 36.55 0.02 OUTLIER Glycine 0 C--O 1.231 -0.072 0 C-N-CA 120.507 -0.854 . . . . 0.0 112.341 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . 0.629 HG12 HD22 ' B' ' 87' ' ' LEU . 1.7 mp -55.23 140.76 12.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 123.368 0.667 . . . . 0.0 112.434 -178.309 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 . . . . . 0 C--N 1.326 -0.428 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.113 179.131 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.473 HG23 HD12 ' A' ' 29' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.473 0.702 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 128.77 31.81 0.63 Allowed Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.319 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.424 ' HB2' ' CE1' ' A' ' 20' ' ' PHE . 76.4 t90 -116.23 132.45 56.66 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.614 0.245 . . . . 0.0 110.437 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.705 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . 1.1 t70 -114.29 140.17 24.74 Favored Pre-proline 0 C--N 1.322 -0.599 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 176.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_exo -33.78 -62.16 0.19 Allowed 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 124.567 3.511 . . . . 0.0 115.028 -174.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -104.38 -30.23 10.23 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 -177.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.705 ' HB3' ' HB3' ' A' ' 15' ' ' ASP . 28.6 t-20 -66.25 -34.8 78.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.775 0.321 . . . . 0.0 110.902 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 91.53 -165.23 29.72 Favored Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 115.987 -0.551 . . . . 0.0 112.45 178.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.565 ' CD2' HD12 ' A' ' 43' ' ' LEU . 97.9 m-85 -73.21 122.53 22.06 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 174.366 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -74.42 119.49 18.69 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 119.997 -0.681 . . . . 0.0 110.079 -178.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.641 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 18.0 m -72.69 -12.67 15.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.951 -172.193 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -78.42 -31.56 48.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.919 0.39 . . . . 0.0 110.145 -178.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -120.11 30.13 7.16 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.314 -177.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.641 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 23.2 mt -65.92 117.61 8.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.358 175.689 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -54.59 134.68 63.72 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.862 175.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -49.27 -28.39 14.9 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 123.982 3.121 . . . . 0.0 114.24 -177.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -76.27 -44.65 36.25 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 177.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.503 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 89.3 mt -62.52 -47.66 82.95 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.113 176.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -55.79 -40.63 72.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.106 178.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.628 ' HB3' ' HE3' ' A' ' 69' ' ' MET . 10.0 t -63.0 -54.15 42.78 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.34 178.196 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.411 ' CD1' HG12 ' B' ' 79' ' ' VAL . 57.4 tp -62.49 -49.49 75.15 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.415 -173.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.503 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 16.8 m-30 -64.79 -47.76 76.95 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.324 -170.367 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.6 m -67.66 -23.88 65.37 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.295 0.569 . . . . 0.0 110.708 177.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.7 ttt85 -80.13 -15.58 56.79 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.932 175.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -107.86 18.76 20.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.605 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.3 -17.72 17.31 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 121.091 -0.576 . . . . 0.0 113.328 175.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.704 HD12 HD11 ' A' ' 52' ' ' ILE . 40.4 mt -65.09 105.14 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.135 0.493 . . . . 0.0 111.124 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 33.4 t -77.65 169.59 18.04 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.568 174.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -52.87 -44.54 66.92 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 -177.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.19 -24.88 60.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.268 -177.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.56 ' HB3' HG23 ' A' ' 48' ' ' THR . 47.3 mt-30 -82.27 -30.93 30.34 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.095 -176.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.565 HD12 ' CD2' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -66.13 -28.78 69.06 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.426 -0.51 . . . . 0.0 109.741 172.322 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.7 p -97.62 11.74 35.96 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.787 178.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.652 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 23.3 t70 -91.85 137.5 32.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.918 176.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.3 -68.66 0.19 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -171.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.0 pm0 -69.34 -39.93 77.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.191 -176.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.726 ' HA ' HG13 ' B' ' 92' ' ' ILE . 56.2 m -56.63 -52.51 64.61 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -177.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 88.1 p -66.14 -38.32 87.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.838 0.352 . . . . 0.0 111.183 -176.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -63.15 -39.28 94.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.44 -176.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.728 HD21 HD13 ' B' ' 92' ' ' ILE . 1.0 OUTLIER -74.43 -29.24 61.41 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.365 -0.534 . . . . 0.0 111.604 178.917 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.704 HD11 HD12 ' A' ' 38' ' ' ILE . 71.1 mt -63.38 -44.88 99.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.978 0.418 . . . . 0.0 110.172 171.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -61.24 -43.23 99.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.892 178.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -62.3 -41.51 98.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.19 -0.913 . . . . 0.0 110.701 175.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.549 ' CD2' HD13 ' B' ' 83' ' ' LEU . 59.3 t80 -56.45 -51.52 68.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.563 178.026 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.546 ' CG2' ' HA ' ' A' ' 62' ' ' LEU . 74.5 mt -61.13 -38.89 80.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.611 -177.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -66.44 -43.32 85.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.397 177.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -57.6 -31.2 65.98 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.972 -177.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.519 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 51.4 mm-40 -83.06 -1.9 53.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.824 0.345 . . . . 0.0 111.183 -176.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.61 -17.59 10.2 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.484 -0.865 . . . . 0.0 112.678 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 145.04 -177.63 23.35 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.243 -0.98 . . . . 0.0 113.317 177.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.546 ' HA ' ' CG2' ' A' ' 56' ' ' ILE . 72.8 mt -60.45 -36.59 78.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.389 -0.406 . . . . 0.0 111.489 -175.333 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -77.13 -18.56 57.81 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.105 -176.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.412 ' O ' ' HG3' ' A' ' 68' ' ' GLU . . . -64.08 -58.31 7.05 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 -173.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.765 ' HB ' HG21 ' B' ' 79' ' ' VAL . 3.0 m -74.8 -22.48 17.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.888 0.851 . . . . 0.0 109.383 -176.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 54.2 ttt180 -67.49 -28.92 68.24 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.154 -1.384 . . . . 0.0 109.701 177.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -87.86 -28.58 21.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.979 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.589 ' HG3' ' HA ' ' A' ' 65' ' ' VAL . 21.3 mt-10 -62.06 -19.55 63.04 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 120.608 0.242 . . . . 0.0 111.521 -176.458 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.628 ' HE3' ' HB3' ' A' ' 31' ' ' SER . 49.1 mtt -61.59 -32.26 72.35 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.235 0.54 . . . . 0.0 110.725 175.045 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.446 -0.658 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.655 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . 0.765 HG21 ' HB ' ' A' ' 65' ' ' VAL . 2.4 p . . . . . 0 CA--C 1.542 0.659 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.86 -37.46 43.41 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 113.296 0.85 . . . . 0.0 113.296 -174.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' GLN . . . . . 0.511 ' HG3' ' N ' ' B' ' 82' ' ' ARG . 3.3 pt20 -69.86 -35.39 74.66 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.862 -177.125 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . 0.511 ' N ' ' HG3' ' B' ' 81' ' ' GLN . 34.8 ttm180 -68.49 -18.42 64.39 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.608 0.718 . . . . 0.0 110.134 -177.241 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . 0.7 HD21 ' CD1' ' A' ' 38' ' ' ILE . 32.7 tp -83.35 -44.37 14.93 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.052 -0.977 . . . . 0.0 110.924 -176.201 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 51.9 mtm -60.42 -37.33 80.56 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.909 0.385 . . . . 0.0 110.731 178.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . 0.465 ' O ' ' HG2' ' B' ' 89' ' ' GLU . 3.0 tt0 -71.96 -39.13 69.58 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.33 179.038 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . 0.545 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 46.8 t60 -63.19 -29.14 70.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.733 179.494 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . 0.575 HD22 HG12 ' B' ' 92' ' ' ILE . 64.1 mt -86.32 -47.3 9.5 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.846 179.469 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.02 -38.95 54.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.513 -0.767 . . . . 0.0 112.103 -178.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' B' ' 85' ' ' GLN . 6.2 mm-40 -60.84 -29.12 69.31 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -102.43 2.08 36.09 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.4 0.518 . . . . 0.0 112.4 -172.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 83.55 29.58 32.35 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 120.541 -0.838 . . . . 0.0 113.514 175.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . 0.728 HD13 HD21 ' A' ' 51' ' ' LEU . 1.6 mp -59.51 141.77 15.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.785 0.326 . . . . 0.0 111.499 174.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . 0.572 HE21 ' HA ' ' B' ' 93' ' ' GLN . 0.1 OUTLIER . . . . . 0 CA--C 1.532 0.273 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.254 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.654 HG22 HD13 ' A' ' 62' ' ' LEU . 20.7 t . . . . . 0 C--O 1.234 0.259 0 CA-C-O 121.229 0.538 . . . . 0.0 111.768 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 112.24 36.54 1.61 Allowed Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 110.202 -1.159 . . . . 0.0 110.202 -170.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.591 ' CZ2' ' HA ' ' A' ' 16' ' ' PRO . 55.0 t90 -126.7 129.41 48.37 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.462 -0.369 . . . . 0.0 110.536 -176.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.594 ' HB2' ' HB3' ' A' ' 18' ' ' ASN . 24.1 m-20 -107.88 129.18 24.5 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.615 174.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.591 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 51.2 Cg_exo -54.37 -24.58 35.64 Favored 'Trans proline' 0 N--CA 1.475 0.438 0 C-N-CA 123.835 3.023 . . . . 0.0 114.149 -174.167 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -104.11 -38.5 6.9 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.989 0.423 . . . . 0.0 111.341 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.594 ' HB3' ' HB2' ' A' ' 15' ' ' ASP . 9.0 t30 -86.65 -35.37 19.39 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.844 -172.192 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.16 -165.94 12.58 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.37 -178.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.467 ' HE2' ' HB ' ' A' ' 52' ' ' ILE . 63.3 m-85 -74.82 147.11 41.47 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.79 0.329 . . . . 0.0 110.484 178.562 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -76.53 94.96 3.79 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 174.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.672 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 7.3 p -67.51 -23.96 30.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.165 -0.47 . . . . 0.0 112.093 -170.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -90.34 -5.36 56.32 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.848 0.356 . . . . 0.0 111.056 178.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -121.73 25.08 9.44 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.1 0.476 . . . . 0.0 110.267 172.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.672 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 11.3 mt -66.12 121.62 15.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.432 -179.459 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -56.38 127.95 72.56 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.58 -0.737 . . . . 0.0 109.675 172.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.428 ' O ' ' HB2' ' A' ' 30' ' ' ARG . 65.8 Cg_exo -51.76 -30.98 39.84 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 124.007 3.138 . . . . 0.0 113.766 -175.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.1 -42.92 65.56 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 178.295 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.54 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 82.5 mt -62.96 -40.56 98.05 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.486 174.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.428 ' HB2' ' O ' ' A' ' 27' ' ' PRO . 74.2 mtt180 -51.32 -50.26 59.74 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.21 174.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.548 ' HB3' ' HE3' ' A' ' 69' ' ' MET . 11.1 t -58.59 -49.05 78.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.01 -0.996 . . . . 0.0 110.655 179.463 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.646 HD13 HG12 ' B' ' 79' ' ' VAL . 49.2 tp -65.95 -52.03 53.28 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.294 -173.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.54 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 19.6 m-30 -63.45 -41.51 98.64 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.243 -171.38 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.1 t -62.36 -36.72 83.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.302 0.573 . . . . 0.0 110.294 177.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.8 mtt180 -69.23 -36.07 76.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.896 175.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.01 0.03 29.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.567 -176.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.52 -11.08 71.16 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 121.051 -0.595 . . . . 0.0 111.911 177.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.98 HD12 HD11 ' A' ' 52' ' ' ILE . 41.5 mt -65.16 119.73 10.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 C-N-CA 122.953 0.501 . . . . 0.0 110.869 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.0 t -99.38 174.9 6.06 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.122 177.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.485 ' HG3' HG23 ' A' ' 22' ' ' VAL . 47.1 tt0 -49.29 -42.15 40.3 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.126 0.489 . . . . 0.0 110.923 178.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.9 -52.82 63.93 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.172 -179.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.565 ' HB3' HG23 ' A' ' 48' ' ' THR . 46.4 mt-30 -59.45 -36.82 76.68 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.887 -178.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.588 HD12 HD12 ' A' ' 25' ' ' LEU . 93.5 mt -68.29 -20.87 64.8 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.794 178.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.8 p -110.66 18.16 19.95 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.471 0.653 . . . . 0.0 110.03 177.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -95.79 138.62 33.18 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.938 175.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.26 -65.79 0.59 Allowed 'General case' 0 C--N 1.318 -0.795 0 O-C-N 123.501 0.501 . . . . 0.0 111.609 -174.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.86 -41.13 92.05 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.902 -175.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.565 HG23 ' HB3' ' A' ' 42' ' ' GLN . 17.5 m -59.61 -58.02 10.42 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -178.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 92.5 p -62.87 -34.67 77.86 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.792 0.33 . . . . 0.0 110.581 -176.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.526 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 88.6 tttt -57.39 -44.42 84.49 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.199 176.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.747 HD21 HD11 ' B' ' 92' ' ' ILE . 1.7 mm? -75.54 -35.84 60.61 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 179.476 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.98 HD11 HD12 ' A' ' 38' ' ' ILE . 43.9 mt -59.08 -49.8 82.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.824 177.039 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -66.0 -39.64 90.48 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.546 -0.461 . . . . 0.0 110.132 177.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -56.41 -38.8 72.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.306 176.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.612 ' HB2' ' CD2' ' B' ' 86' ' ' HIS . 48.0 t80 -62.58 -50.93 69.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.869 175.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 72.3 mt -62.12 -40.74 88.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.632 -178.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -68.39 -35.02 77.07 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.607 178.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -63.3 -32.07 73.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.256 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 49.2 mm-40 -81.31 -6.12 58.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.149 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.76 -28.16 6.84 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.001 -178.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 152.37 -172.05 31.58 Favored Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 120.453 -0.88 . . . . 0.0 112.818 177.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.654 HD13 HG22 ' A' ' 12' ' ' VAL . 8.6 mp -56.82 -54.92 40.92 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 122.788 0.435 . . . . 0.0 111.833 -175.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.677 ' HA ' ' HD3' ' A' ' 66' ' ' ARG . 32.4 mt-10 -63.4 -24.39 67.82 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.134 -175.198 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.91 -49.32 73.14 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.602 -177.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.988 ' HA ' ' HG3' ' A' ' 68' ' ' GLU . 4.1 m -72.48 -21.55 20.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.225 0 CA-C-O 121.269 0.557 . . . . 0.0 110.409 -178.549 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.677 ' HD3' ' HA ' ' A' ' 63' ' ' GLU . 73.8 mtp180 -73.21 -26.0 60.97 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.716 177.346 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.503 ' HG3' ' O ' ' A' ' 63' ' ' GLU . 27.3 mt-30 -81.34 -27.31 35.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.71 176.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.988 ' HG3' ' HA ' ' A' ' 65' ' ' VAL . 6.2 mt-10 -64.4 -24.19 67.55 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 175.236 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.548 ' HE3' ' HB3' ' A' ' 31' ' ' SER . 38.1 mtt -61.19 -33.4 73.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.843 174.329 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 . . . . . 0 C--N 1.324 -0.527 0 CA-C-O 121.301 0.572 . . . . 0.0 109.805 178.587 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . 0.646 HG12 HD13 ' A' ' 32' ' ' LEU . 2.6 p . . . . . 0 CA--C 1.543 0.691 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.84 -38.69 89.15 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -177.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -71.56 -23.88 61.83 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-O 121.707 0.765 . . . . 0.0 109.484 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . 0.424 ' HG2' ' HE1' ' A' ' 55' ' ' PHE . 64.7 ttt180 -78.21 -15.79 58.47 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.504 -1.226 . . . . 0.0 110.112 -177.73 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . 0.677 HD11 HD11 ' A' ' 38' ' ' ILE . 0.5 OUTLIER -82.43 -40.99 20.44 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.434 -179.813 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 59.6 mtt -57.94 -41.19 82.29 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.003 177.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -60.74 -33.33 72.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.038 178.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . 0.612 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 46.8 t60 -84.02 -18.26 37.7 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.885 -172.102 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . 0.587 HD11 HG13 ' B' ' 92' ' ' ILE . 0.3 OUTLIER -89.56 -37.8 14.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.136 0.493 . . . . 0.0 109.868 173.238 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.65 -14.75 61.85 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.007 -178.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . 0.793 ' HG3' ' CD2' ' B' ' 90' ' ' HIS . 9.5 pt-20 -93.38 -2.64 54.51 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -177.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 90' ' ' HIS . . . . . 0.793 ' CD2' ' HG3' ' B' ' 89' ' ' GLU . 94.0 m-70 -131.33 23.92 4.82 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -178.641 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.8 39.42 87.43 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.92 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . 0.747 HD11 HD21 ' A' ' 51' ' ' LEU . 29.2 mm -79.88 148.67 5.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 120.745 0.307 . . . . 0.0 110.983 -176.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.695 -178.068 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.717 HG12 HD23 ' A' ' 62' ' ' LEU . 47.1 t . . . . . 0 CA--C 1.541 0.615 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 99.72 19.44 20.02 Favored Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 -171.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 38.3 t90 -108.5 139.35 43.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.619 -0.79 . . . . 0.0 110.462 -177.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.613 ' HB3' ' HB2' ' A' ' 18' ' ' ASN . 15.2 t70 -110.84 137.95 20.97 Favored Pre-proline 0 C--N 1.323 -0.587 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 174.648 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.456 ' HD2' ' CG ' ' A' ' 15' ' ' ASP . 80.4 Cg_exo -28.57 -75.0 0.03 OUTLIER 'Trans proline' 0 CA--C 1.533 0.456 0 C-N-CA 125.228 3.952 . . . . 0.0 115.101 -174.44 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -105.94 -0.82 24.72 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 -179.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.613 ' HB2' ' HB3' ' A' ' 15' ' ' ASP . 47.8 m-80 -90.44 -19.98 23.29 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.764 0.316 . . . . 0.0 111.253 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.795 ' HA3' ' HA ' ' A' ' 44' ' ' THR . . . 91.56 -163.74 28.78 Favored Glycine 0 N--CA 1.442 -0.945 0 C-N-CA 120.61 -0.805 . . . . 0.0 113.434 174.752 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.508 ' HB2' ' HG ' ' A' ' 43' ' ' LEU . 56.9 m-85 -84.74 145.61 27.83 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 179.668 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -74.53 103.38 4.84 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 177.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.633 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 17.5 m -72.03 -4.69 5.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.419 -175.328 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -85.64 -41.11 15.49 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.694 -0.23 . . . . 0.0 110.616 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -110.72 35.63 3.42 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.205 0.526 . . . . 0.0 111.243 177.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.633 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 13.8 mt -65.1 133.75 52.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.835 176.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.406 ' HB3' HD11 ' A' ' 29' ' ' LEU . 12.7 t70 -65.3 133.78 95.58 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.682 173.498 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -49.15 -34.72 31.41 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 124.29 3.327 . . . . 0.0 114.323 -177.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -79.82 -41.01 27.26 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.404 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.447 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 96.1 mt -59.4 -48.24 82.4 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 109.595 -0.521 . . . . 0.0 109.595 172.209 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -53.12 -49.1 67.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.862 178.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.548 ' HB3' ' HE3' ' A' ' 69' ' ' MET . 4.3 t -61.34 -48.21 82.34 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.146 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.657 HD21 ' HB ' ' B' ' 79' ' ' VAL . 61.9 tp -63.2 -55.35 25.8 Favored 'General case' 0 CA--C 1.51 -0.596 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -174.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.45 ' HZ ' HD13 ' A' ' 56' ' ' ILE . 20.1 m-30 -57.46 -46.25 83.87 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.105 -173.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.1 t -62.37 -34.06 75.96 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.733 177.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 35.3 ttt180 -76.67 -28.62 56.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.227 0.537 . . . . 0.0 110.634 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.446 ' HB2' HD12 ' A' ' 38' ' ' ILE . . . -83.84 -10.1 58.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.192 -177.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 113.09 -18.36 21.46 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.232 178.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.939 HG12 HD11 ' A' ' 52' ' ' ILE . 4.2 mp -72.25 121.12 21.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 78.8 p -92.58 178.16 5.89 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 176.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -60.53 -37.72 82.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.327 0.584 . . . . 0.0 109.864 177.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.32 -55.49 17.96 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.606 177.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.846 ' HG2' HG23 ' A' ' 48' ' ' THR . 13.2 tt0 -59.99 -33.92 72.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.151 0.5 . . . . 0.0 110.577 -177.681 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.508 ' HG ' ' HB2' ' A' ' 20' ' ' PHE . 23.3 tp -67.26 -17.74 64.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.277 -178.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.795 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 18.9 p -111.82 13.01 20.98 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.99 0.424 . . . . 0.0 110.915 179.25 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.56 151.18 26.52 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.979 174.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.33 -65.57 0.58 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -172.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.514 ' CD ' ' H ' ' A' ' 47' ' ' GLU . 1.0 OUTLIER -74.91 -33.4 62.0 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.337 -173.392 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.846 HG23 ' HG2' ' A' ' 42' ' ' GLN . 7.8 m -60.64 -58.89 6.54 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.488 ' CB ' ' HA2' ' A' ' 19' ' ' GLY . 80.9 p -64.04 -39.73 94.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.258 -173.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -57.07 -39.19 74.48 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.692 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.428 HD12 HD11 ' B' ' 92' ' ' ILE . 29.6 mt -74.71 -39.05 62.16 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.066 178.298 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.939 HD11 HG12 ' A' ' 38' ' ' ILE . 69.5 mt -58.16 -44.63 88.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.794 0.33 . . . . 0.0 111.524 175.159 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -60.57 -48.11 83.2 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.841 0.353 . . . . 0.0 110.724 178.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -59.5 -39.7 84.66 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.357 0.599 . . . . 0.0 110.536 174.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.9 ' HE1' ' HG3' ' B' ' 82' ' ' ARG . 51.9 t80 -55.3 -56.85 15.28 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.902 176.472 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.6 HG22 HG22 ' A' ' 65' ' ' VAL . 80.2 mt -57.55 -35.56 50.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.358 -177.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -73.18 -21.01 60.76 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.351 -178.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -69.66 -36.72 76.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.021 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -80.58 -5.89 57.47 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.856 -0.338 . . . . 0.0 111.246 178.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.92 -24.83 8.18 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.51 -0.852 . . . . 0.0 112.305 178.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 145.05 -173.8 25.36 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.089 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.717 HD23 HG12 ' A' ' 12' ' ' VAL . 10.5 mp -64.01 -42.71 97.05 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -174.517 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.8 mp0 -54.36 -44.8 72.49 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.753 0.311 . . . . 0.0 111.2 178.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.44 -42.7 78.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -177.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.6 HG22 HG22 ' A' ' 56' ' ' ILE . 46.3 t -63.04 -38.0 80.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.465 -177.049 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.51 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 50.4 mtp180 -64.5 -28.4 69.63 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.855 179.51 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -86.23 -32.58 21.09 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.594 -175.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.686 ' HB2' HG23 ' B' ' 79' ' ' VAL . 6.6 mm-40 -47.87 -32.89 6.74 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 123.83 0.706 . . . . 0.0 111.576 -178.498 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.548 ' HE3' ' HB3' ' A' ' 31' ' ' SER . 47.8 mtt -49.89 -38.48 35.94 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.36 -178.587 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.445 -0.699 0 CA-C-N 115.043 -0.981 . . . . 0.0 109.977 -178.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . 0.686 HG23 ' HB2' ' A' ' 68' ' ' GLU . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.163 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.428 ' O ' ' HG3' ' B' ' 84' ' ' MET . . . -53.2 -58.72 6.07 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -175.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -73.6 -26.6 60.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.339 0.59 . . . . 0.0 109.993 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . 0.9 ' HG3' ' HE1' ' A' ' 55' ' ' PHE . 11.1 tpt180 -64.07 -29.95 71.05 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.188 -0.914 . . . . 0.0 109.541 177.425 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . 0.678 ' HG ' ' CE2' ' A' ' 55' ' ' PHE . 1.8 mt -76.13 -45.16 35.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.347 175.43 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' MET . . . . . 0.428 ' HG3' ' O ' ' B' ' 80' ' ' ALA . 63.3 mtt -51.95 -48.68 64.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.913 -178.212 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -67.48 -28.07 67.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.952 179.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . 0.445 ' O ' ' HD2' ' B' ' 90' ' ' HIS . 39.1 t60 -73.59 -28.57 61.9 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.197 -175.603 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . 0.626 HD12 HG13 ' B' ' 92' ' ' ILE . 2.3 mm? -92.11 -46.09 7.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.912 0.387 . . . . 0.0 111.141 177.354 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.24 -31.22 71.02 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -172.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -82.57 2.13 34.68 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -176.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 90' ' ' HIS . . . . . 0.445 ' HD2' ' O ' ' B' ' 86' ' ' HIS . 96.4 m-70 -125.56 15.68 8.19 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.404 -0.519 . . . . 0.0 111.716 -179.608 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 59.92 38.27 93.87 Favored Glycine 0 C--N 1.329 0.188 0 C-N-CA 120.955 -0.64 . . . . 0.0 112.565 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . 0.626 HG13 HD12 ' B' ' 87' ' ' LEU . 22.5 mm -69.33 146.56 12.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 120.829 0.347 . . . . 0.0 111.351 -177.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 . . . . . 0 C--N 1.333 -0.151 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.391 178.203 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.541 0.615 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.72 18.51 58.2 Favored Glycine 0 N--CA 1.453 -0.191 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.716 -178.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.56 ' CZ2' ' HA ' ' A' ' 16' ' ' PRO . 64.4 t90 -105.89 135.54 47.14 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.04 0.448 . . . . 0.0 111.34 -178.54 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.671 ' HB3' ' HB2' ' A' ' 18' ' ' ASN . 9.8 t70 -117.42 135.63 23.26 Favored Pre-proline 0 C--N 1.322 -0.592 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 173.279 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.56 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 10.9 Cg_endo -53.63 -29.98 53.35 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 123.602 2.868 . . . . 0.0 113.923 -175.486 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -106.28 -42.3 5.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.661 0.267 . . . . 0.0 111.672 179.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.671 ' HB2' ' HB3' ' A' ' 15' ' ' ASP . 2.7 m-20 -76.82 -26.49 54.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.684 -174.436 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 91.59 -157.56 24.69 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.899 -0.667 . . . . 0.0 111.782 -177.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.615 ' HB2' ' HB3' ' A' ' 43' ' ' LEU . 60.6 m-85 -77.51 122.16 24.86 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 175.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -68.33 105.79 2.27 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 178.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.633 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 17.5 m -69.24 -11.59 15.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.472 -172.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.438 HD21 ' ND2' ' A' ' 24' ' ' ASN . 6.0 t30 -82.74 -39.92 21.23 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.343 0.592 . . . . 0.0 110.21 176.193 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.438 ' ND2' HD21 ' A' ' 23' ' ' ASN . 36.8 m-80 -96.58 16.21 19.45 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.633 -177.661 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.633 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 26.0 mt -66.18 124.35 22.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.006 0.431 . . . . 0.0 111.443 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -64.84 130.23 94.73 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 115.422 -0.808 . . . . 0.0 108.975 172.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -51.78 -29.93 35.95 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 123.774 2.982 . . . . 0.0 113.735 -178.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.654 ' HB3' HH21 ' A' ' 66' ' ' ARG . 32.0 t70 -77.07 -41.51 42.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.891 0.377 . . . . 0.0 110.116 -179.378 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.409 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 96.0 mt -63.4 -47.51 81.7 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 121.172 0.51 . . . . 0.0 109.777 172.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -56.73 -38.92 73.04 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.964 179.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.532 ' HB3' ' HE3' ' A' ' 69' ' ' MET . 7.2 t -56.15 -48.02 77.09 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.091 177.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.493 ' CD1' HG12 ' B' ' 79' ' ' VAL . 61.6 tp -67.05 -51.97 48.02 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.249 -177.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.428 ' HB3' HD22 ' A' ' 43' ' ' LEU . 14.9 m-30 -60.8 -42.59 97.93 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.653 -174.348 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.5 t -65.96 -32.39 73.85 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.461 177.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -76.57 -26.45 55.1 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.437 0.637 . . . . 0.0 110.043 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.17 -3.99 56.08 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.882 179.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.25 -7.54 80.44 Favored Glycine 0 N--CA 1.453 -0.201 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.299 179.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.848 HD12 HD11 ' A' ' 52' ' ' ILE . 20.3 mt -76.06 111.33 12.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 120.955 0.407 . . . . 0.0 110.683 -179.084 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 67.9 p -75.97 167.06 22.57 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.852 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.462 ' HB3' HG13 ' A' ' 22' ' ' VAL . 1.9 mp0 -53.27 -45.69 68.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.074 0.464 . . . . 0.0 110.485 177.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.39 -42.98 99.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.75 179.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.872 ' HG2' HG23 ' A' ' 48' ' ' THR . 41.5 tt0 -62.05 -32.75 73.3 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.339 -178.45 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.637 ' O ' ' HB3' ' A' ' 49' ' ' SER . 68.8 mt -70.17 -17.46 63.17 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.452 178.729 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.1 p -98.78 5.41 47.53 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.107 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -76.06 132.37 40.06 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 170.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -50.75 -57.28 8.74 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.249 0.462 . . . . 0.0 112.249 -172.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -69.75 -44.85 69.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.369 -177.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.872 HG23 ' HG2' ' A' ' 42' ' ' GLN . 9.0 m -53.74 -51.97 61.64 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.786 0.327 . . . . 0.0 111.299 179.261 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.637 ' HB3' ' O ' ' A' ' 43' ' ' LEU . 60.2 p -65.22 -48.7 72.4 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.12 -178.241 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -57.47 -37.67 73.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.682 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.741 ' HA ' ' HB3' ' A' ' 54' ' ' ASP . 35.7 mt -85.39 -15.21 43.85 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -177.423 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.848 HD11 HD12 ' A' ' 38' ' ' ILE . 96.8 mt -78.23 -37.06 21.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 C-N-CA 120.13 -0.628 . . . . 0.0 109.934 167.122 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -65.21 -47.63 76.19 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 173.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.741 ' HB3' ' HA ' ' A' ' 51' ' ' LEU . 1.5 t70 -52.38 -36.95 55.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.482 171.338 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.758 ' HE1' ' HG3' ' B' ' 82' ' ' ARG . 60.3 t80 -66.58 -57.43 7.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.129 -179.578 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 84.6 mt -56.2 -41.31 69.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.423 -179.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -63.56 -50.19 70.46 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.393 -0.822 . . . . 0.0 111.079 175.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -54.21 -34.7 61.22 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.685 177.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.491 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 32.0 mm-40 -70.86 -11.71 61.12 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.929 0.395 . . . . 0.0 110.889 179.678 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 120.17 -0.92 13.07 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.748 -0.739 . . . . 0.0 113.141 178.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 133.79 -179.41 17.49 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.133 -1.032 . . . . 0.0 112.861 176.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 87.7 mt -58.68 -45.56 89.18 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -172.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -67.24 -25.13 65.94 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.327 0.492 . . . . 0.0 112.327 -176.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -56.52 -61.08 2.66 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -170.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.651 ' HB ' HG21 ' B' ' 79' ' ' VAL . 1.4 m -65.02 -26.08 39.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.494 0.664 . . . . 0.0 110.689 -173.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.654 HH21 ' HB3' ' A' ' 28' ' ' ASP . 41.4 mtp180 -73.4 -26.09 60.83 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.03 -177.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -91.84 -22.28 20.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.317 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.6 ' HB2' ' HB ' ' B' ' 79' ' ' VAL . 13.6 mt-10 -68.5 -15.59 63.6 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 120.777 0.322 . . . . 0.0 111.122 -179.446 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.532 ' HE3' ' HB3' ' A' ' 31' ' ' SER . 47.6 mtt -61.54 -24.79 66.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.323 0.582 . . . . 0.0 110.026 171.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 64.2 mtp180 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 115.243 -0.889 . . . . 0.0 109.694 -177.094 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . 0.651 HG21 ' HB ' ' A' ' 65' ' ' VAL . 2.5 p . . . . . 0 CA--C 1.541 0.622 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.638 ' O ' ' HG3' ' B' ' 84' ' ' MET . . . -48.3 -45.97 35.59 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -179.055 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -64.39 -37.03 86.08 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.904 0.383 . . . . 0.0 111.223 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . 0.758 ' HG3' ' HE1' ' A' ' 55' ' ' PHE . 0.8 OUTLIER -65.7 -30.47 71.15 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-O 121.562 0.696 . . . . 0.0 109.642 178.529 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . 0.588 HD13 ' CD2' ' A' ' 55' ' ' PHE . 49.8 tp -81.03 -44.74 17.61 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.013 -0.994 . . . . 0.0 111.649 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' MET . . . . . 0.638 ' HG3' ' O ' ' B' ' 80' ' ' ALA . 54.8 mtt -48.36 -55.17 11.43 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 121.314 0.578 . . . . 0.0 110.922 -177.663 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . 0.592 ' O ' ' HG3' ' B' ' 89' ' ' GLU . 42.3 mt-30 -69.12 -28.97 66.95 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.479 -178.15 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . 0.471 ' O ' ' HD2' ' B' ' 90' ' ' HIS . 44.0 t60 -59.02 -31.97 69.31 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.254 -177.26 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . 0.534 HD11 HG12 ' B' ' 92' ' ' ILE . 1.5 mm? -83.49 -35.71 24.67 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.581 -0.448 . . . . 0.0 110.692 176.76 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.01 -32.15 73.59 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.185 -178.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . 0.592 ' HG3' ' O ' ' B' ' 85' ' ' GLN . 49.4 mt-10 -65.72 -17.66 64.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.784 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 90' ' ' HIS . . . . . 0.471 ' HD2' ' O ' ' B' ' 86' ' ' HIS . 95.1 m-70 -120.53 4.12 10.68 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -172.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 79.24 32.57 38.52 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 120.701 -0.761 . . . . 0.0 113.624 175.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . 0.654 HD13 HD11 ' A' ' 51' ' ' LEU . 1.4 mp -60.81 145.83 12.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 C-N-CA 122.933 0.493 . . . . 0.0 111.805 175.336 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 . . . . . 0 C--N 1.333 -0.121 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.97 176.196 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.53 HG21 ' HE1' ' A' ' 53' ' ' TYR . 15.8 t . . . . . 0 CA--C 1.54 0.578 0 CA-C-O 121.437 0.637 . . . . 0.0 111.807 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 64.77 32.06 82.97 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.727 -0.749 . . . . 0.0 111.369 -174.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.518 ' CZ2' ' HA ' ' A' ' 16' ' ' PRO . 56.4 t90 -111.71 138.29 48.47 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.218 0.532 . . . . 0.0 111.477 -176.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.405 ' HB3' ' HB2' ' A' ' 18' ' ' ASN . 12.2 t70 -120.76 132.18 24.25 Favored Pre-proline 0 C--N 1.323 -0.545 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 172.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.518 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 9.3 Cg_endo -52.08 -29.77 37.98 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 123.918 3.079 . . . . 0.0 114.137 -175.029 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -105.38 -42.5 5.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.796 0.331 . . . . 0.0 111.539 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.405 ' HB2' ' HB3' ' A' ' 15' ' ' ASP . 36.2 m-80 -84.06 -12.72 54.68 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -173.426 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.789 ' HA3' ' HA ' ' A' ' 44' ' ' THR . . . 86.42 -161.85 34.32 Favored Glycine 0 N--CA 1.442 -0.93 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.792 177.427 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.5 ' HB2' ' HG ' ' A' ' 43' ' ' LEU . 55.5 m-85 -81.44 143.96 31.74 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 178.195 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -70.26 101.83 1.98 Allowed 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 176.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.65 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 16.4 m -68.24 -14.02 17.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -174.334 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -88.6 -39.61 13.97 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.271 0.558 . . . . 0.0 109.878 176.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -97.73 29.91 3.18 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.337 179.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.65 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 7.1 mt -66.86 133.43 50.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.604 -178.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.518 ' HB3' ' HB2' ' A' ' 29' ' ' LEU . 11.2 t70 -59.9 132.47 89.43 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.21 -0.904 . . . . 0.0 109.639 173.414 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -51.54 -31.71 40.75 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 123.9 3.067 . . . . 0.0 113.755 -176.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -84.6 -45.15 12.82 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.518 ' HB2' ' HB3' ' A' ' 26' ' ' ASP . 6.9 mp -49.76 -52.78 29.24 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 120.736 0.303 . . . . 0.0 111.25 171.053 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -56.11 -43.07 77.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.224 -178.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.648 ' HB3' ' HE3' ' A' ' 69' ' ' MET . 3.5 t -67.29 -46.6 73.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.347 0.594 . . . . 0.0 110.388 179.529 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.797 HD21 HG11 ' B' ' 79' ' ' VAL . 2.5 tm? -62.64 -55.2 29.2 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.388 -175.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.629 ' HB3' ' HB ' ' A' ' 38' ' ' ILE . 18.2 m-85 -59.71 -33.37 71.51 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.534 -178.357 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.4 t -66.29 -31.16 71.8 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.187 178.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -79.53 -40.96 28.35 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.413 0.625 . . . . 0.0 110.13 175.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.524 ' HB2' ' CD1' ' A' ' 38' ' ' ILE . . . -70.32 -16.7 63.03 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.889 -1.051 . . . . 0.0 111.606 -175.015 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 106.66 -3.15 36.44 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.849 174.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.629 ' HB ' ' HB3' ' A' ' 33' ' ' PHE . 5.0 mp -75.78 115.85 17.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.878 0.371 . . . . 0.0 110.416 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.8 t -91.87 164.96 13.48 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 174.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -48.23 -47.23 35.95 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 122.738 0.415 . . . . 0.0 111.84 -175.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.61 -53.05 62.53 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-O 120.873 0.368 . . . . 0.0 110.78 178.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.982 ' HG2' HG23 ' A' ' 48' ' ' THR . 21.8 tt0 -55.35 -38.8 69.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.585 0.707 . . . . 0.0 110.182 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.57 HD23 HD23 ' A' ' 25' ' ' LEU . 30.8 tp -71.37 -13.04 61.73 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.169 -177.768 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.789 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 22.9 p -118.16 20.01 13.34 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.91 -179.486 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -90.67 150.15 21.78 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.23 173.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.85 -63.41 1.16 Allowed 'General case' 0 C--O 1.237 0.429 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -171.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -75.05 -36.95 61.8 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.674 -174.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.982 HG23 ' HG2' ' A' ' 42' ' ' GLN . 17.8 m -61.39 -56.57 18.85 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.832 -176.052 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.561 ' CB ' ' HA2' ' A' ' 19' ' ' GLY . 77.9 p -60.69 -40.54 92.56 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.068 0.461 . . . . 0.0 110.969 -176.548 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.615 ' HB2' ' HZ2' ' A' ' 50' ' ' LYS . 4.4 ttmp? -62.65 -42.53 99.66 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.494 -179.576 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.864 HD12 HD11 ' B' ' 92' ' ' ILE . 45.5 mt -74.74 -31.01 61.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.343 179.176 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.64 ' O ' ' HB3' ' A' ' 55' ' ' PHE . 57.4 mt -62.6 -45.47 98.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.757 172.722 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.53 ' HE1' HG21 ' A' ' 12' ' ' VAL . 87.8 t80 -67.34 -39.56 85.79 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.237 -0.585 . . . . 0.0 110.037 177.297 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -57.67 -37.0 72.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.39 0.614 . . . . 0.0 109.953 174.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.64 ' HB3' ' O ' ' A' ' 52' ' ' ILE . 50.1 t80 -59.46 -54.28 48.49 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.437 174.176 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.475 HG12 HG22 ' A' ' 65' ' ' VAL . 69.9 mt -56.68 -42.37 76.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.294 -0.867 . . . . 0.0 110.742 -179.432 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -57.11 -51.51 69.02 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.872 173.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -59.32 -31.1 68.86 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.183 -177.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.579 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 24.0 mm-40 -71.97 -14.99 62.06 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.154 0.502 . . . . 0.0 110.854 -178.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.18 9.4 8.77 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.241 -177.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 114.11 -178.11 18.08 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.708 176.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 29.0 tp -60.55 -38.46 84.55 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.984 0.365 . . . . 0.0 111.984 -174.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -66.06 -32.22 73.57 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.745 0.276 . . . . 0.0 111.745 -177.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.526 ' O ' ' HG3' ' A' ' 68' ' ' GLU . . . -60.94 -55.83 28.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.507 -174.454 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.475 HG22 HG12 ' A' ' 56' ' ' ILE . 43.4 t -60.71 -34.54 59.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.38 0.61 . . . . 0.0 110.898 -173.124 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 67.8 mtp180 -66.42 -32.46 73.86 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.027 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -94.18 -28.05 15.86 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.079 -0.51 . . . . 0.0 112.292 -174.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.526 ' HG3' ' O ' ' A' ' 64' ' ' ALA . 26.3 mt-10 -62.85 -17.03 60.86 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 121.187 -0.205 . . . . 0.0 111.475 -176.54 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.648 ' HE3' ' HB3' ' A' ' 31' ' ' SER . 43.4 mtt -52.22 -37.4 54.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.374 0.607 . . . . 0.0 110.873 172.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 . . . . . 0 C--N 1.325 -0.481 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.401 -179.3 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . 0.797 HG11 HD21 ' A' ' 32' ' ' LEU . 3.0 p . . . . . 0 CA--C 1.542 0.644 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.85 -45.03 63.86 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -62.05 -31.08 71.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.42 0.628 . . . . 0.0 110.484 -178.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.96 -19.02 62.6 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 114.817 -1.083 . . . . 0.0 110.748 -174.285 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . 0.603 HD11 HD11 ' A' ' 38' ' ' ILE . 0.5 OUTLIER -85.58 -36.72 20.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.684 -176.924 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 62.9 mtt -56.25 -42.07 76.79 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.814 178.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -62.69 -50.99 68.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.07 178.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 41.4 t60 -62.54 -26.24 68.46 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.708 -171.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . 0.532 HD22 HG13 ' B' ' 92' ' ' ILE . 84.1 mt -87.33 -49.95 6.9 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.933 0.397 . . . . 0.0 110.627 177.278 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.2 -31.95 70.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.389 -176.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -71.01 -20.34 62.41 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -174.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -101.92 -61.1 1.43 Allowed 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -172.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 142.99 64.22 0.02 OUTLIER Glycine 0 N--CA 1.453 -0.207 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -174.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . 0.864 HD11 HD12 ' A' ' 51' ' ' LEU . 4.7 mm -90.52 148.14 4.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -170.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.195 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.6 174.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.797 HG23 HD23 ' A' ' 62' ' ' LEU . 2.9 t . . . . . 0 CA--C 1.542 0.639 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 66.98 28.81 73.94 Favored Glycine 0 C--N 1.33 0.229 0 C-N-CA 120.483 -0.865 . . . . 0.0 110.997 -171.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.42 ' CZ2' ' HA ' ' A' ' 16' ' ' PRO . 70.0 t90 -116.16 142.04 47.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.377 -0.412 . . . . 0.0 111.242 -172.667 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -122.62 133.25 24.33 Favored Pre-proline 0 C--N 1.325 -0.492 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 174.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.42 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 10.1 Cg_endo -52.03 -27.37 28.53 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 123.642 2.895 . . . . 0.0 114.459 -175.567 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -104.83 -52.78 2.8 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.719 -0.392 . . . . 0.0 111.676 179.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -74.82 -17.78 60.56 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.635 -173.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.6 -157.03 26.2 Favored Glycine 0 N--CA 1.441 -0.996 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.959 176.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.428 ' HB3' HD23 ' A' ' 25' ' ' LEU . 94.4 m-85 -78.56 139.55 38.6 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.372 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -74.21 105.56 5.45 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 176.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.643 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 17.8 m -74.7 -3.26 4.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.495 -172.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -90.69 -32.95 15.98 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.944 0.402 . . . . 0.0 109.977 175.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -113.0 33.45 5.04 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.405 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.643 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 19.7 mt -69.38 123.31 20.9 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.615 175.292 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -63.55 140.43 97.76 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.934 177.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -41.14 -53.53 2.97 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 124.202 3.268 . . . . 0.0 114.004 -175.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.69 -49.44 73.14 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.708 -176.637 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.483 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 90.1 mt -56.15 -46.77 79.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.088 0.47 . . . . 0.0 110.569 175.492 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -34.78 76.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.232 -177.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.526 ' HB3' ' HE2' ' A' ' 69' ' ' MET . 7.3 t -67.8 -51.6 46.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.826 175.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.773 HD12 HG12 ' B' ' 79' ' ' VAL . 50.0 tp -57.49 -57.26 13.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.961 -1.018 . . . . 0.0 112.582 -175.236 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.483 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 20.3 m-85 -59.43 -38.42 80.62 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.914 -170.662 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.7 t -66.03 -36.57 83.61 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.835 178.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -67.75 -39.41 84.21 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.4 0.619 . . . . 0.0 110.327 176.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.537 ' HB1' ' HB3' ' B' ' 83' ' ' LEU . . . -70.88 -11.27 60.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.769 -174.338 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.88 -1.51 58.0 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.794 178.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.849 HD12 HD11 ' A' ' 52' ' ' ILE . 8.6 mt -79.7 104.91 8.41 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.683 0 CA-C-O 120.977 0.418 . . . . 0.0 110.322 179.011 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.7 t -68.04 159.36 30.96 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.114 175.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -53.21 -38.52 62.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.913 0.387 . . . . 0.0 111.066 178.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.51 -41.13 98.53 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.09 0.471 . . . . 0.0 110.634 177.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 1.121 ' HG2' HG23 ' A' ' 48' ' ' THR . 8.5 tt0 -65.73 -28.23 68.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.64 -178.707 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 84.1 mt -70.79 -17.78 62.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.901 176.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 38.2 p -108.04 12.46 26.88 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.771 178.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.541 ' OD2' ' HA ' ' A' ' 42' ' ' GLN . 17.8 m-20 -89.84 135.06 33.86 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.91 172.651 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.48 -69.51 0.12 Allowed 'General case' 0 C--O 1.237 0.415 0 N-CA-C 113.326 0.862 . . . . 0.0 113.326 -169.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -62.97 -37.26 86.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.927 0.394 . . . . 0.0 110.817 -173.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 1.121 HG23 ' HG2' ' A' ' 42' ' ' GLN . 19.2 m -61.38 -55.93 26.02 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.031 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.0 t -61.51 -41.88 97.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.342 -173.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.411 ' HA ' ' HZ2' ' A' ' 14' ' ' TRP . 85.6 tttt -65.35 -38.35 89.83 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.599 -179.087 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.488 ' HA ' ' HB3' ' A' ' 54' ' ' ASP . 62.5 mt -75.36 -25.97 58.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.246 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.849 HD11 HD12 ' A' ' 38' ' ' ILE . 57.0 mt -65.65 -43.68 93.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 CA-C-O 121.006 0.432 . . . . 0.0 110.321 170.193 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.508 ' HE1' HG21 ' A' ' 12' ' ' VAL . 88.4 t80 -65.96 -43.33 88.26 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 177.022 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.488 ' HB3' ' HA ' ' A' ' 51' ' ' LEU . 8.6 t70 -54.74 -35.09 63.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.418 173.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.846 ' HE1' ' HG3' ' B' ' 82' ' ' ARG . 35.4 t80 -66.11 -51.8 54.57 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.84 -1.073 . . . . 0.0 110.802 176.681 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 88.0 mt -57.99 -43.45 84.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.507 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -54.64 -52.59 61.81 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.617 172.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -56.82 -31.81 65.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.135 -0.939 . . . . 0.0 112.201 -178.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 85.1 mm-40 -78.89 -11.32 59.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.84 0.353 . . . . 0.0 111.416 -178.552 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.67 0.72 15.47 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.356 178.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 117.87 -165.14 12.65 Favored Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 120.862 -0.685 . . . . 0.0 111.766 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.797 HD23 HG23 ' A' ' 12' ' ' VAL . 9.1 mp -78.37 -44.52 24.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 117.147 0.473 . . . . 0.0 111.597 -170.001 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -60.15 -38.06 82.0 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.158 -177.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.568 ' O ' ' HG2' ' A' ' 68' ' ' GLU . . . -57.55 -52.92 63.42 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.239 179.076 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.452 ' CG1' HD21 ' A' ' 32' ' ' LEU . 87.6 t -58.39 -38.81 71.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.176 -176.254 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.529 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 69.9 mtp180 -61.16 -34.73 75.49 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.855 179.091 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -94.77 -20.83 19.16 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.965 -173.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.568 ' HG2' ' O ' ' A' ' 64' ' ' ALA . 27.8 mm-40 -56.4 -24.48 45.03 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 120.72 0.295 . . . . 0.0 110.775 179.221 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.526 ' HE2' ' HB3' ' A' ' 31' ' ' SER . 51.2 mtt -57.82 -25.19 60.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.341 178.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 . . . . . 0 N--CA 1.452 -0.335 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.812 178.375 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . 0.773 HG12 HD12 ' A' ' 32' ' ' LEU . 2.3 p . . . . . 0 CA--C 1.542 0.661 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.601 ' HB1' HD13 ' A' ' 32' ' ' LEU . . . -55.42 -27.61 48.93 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -70.38 -32.98 70.87 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.477 0.656 . . . . 0.0 110.368 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . 0.846 ' HG3' ' HE1' ' A' ' 55' ' ' PHE . 5.7 tpm_? -76.19 -24.18 54.72 Favored 'General case' 0 N--CA 1.436 -1.145 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.255 -175.285 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . 0.586 ' HG ' ' CE2' ' A' ' 55' ' ' PHE . 0.6 OUTLIER -74.23 -43.26 57.78 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.84 -1.073 . . . . 0.0 110.48 179.858 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 64.4 mtt -53.24 -50.22 65.22 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 121.347 0.594 . . . . 0.0 110.507 -178.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . 0.631 ' O ' ' HG3' ' B' ' 89' ' ' GLU . 21.7 mm-40 -64.07 -48.73 75.08 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.54 -179.237 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . 0.423 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 65.9 t60 -56.05 -33.81 65.31 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.866 -172.353 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . 0.514 HD22 HG12 ' B' ' 92' ' ' ILE . 75.2 mt -80.41 -52.09 8.07 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.115 0.483 . . . . 0.0 110.59 179.178 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.43 -25.02 64.0 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.573 -177.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . 0.631 ' HG3' ' O ' ' B' ' 85' ' ' GLN . 46.4 mt-10 -64.73 -23.99 67.42 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -104.58 -74.2 0.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.562 -0.455 . . . . 0.0 112.005 -174.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 162.75 44.65 0.02 OUTLIER Glycine 0 C--O 1.229 -0.156 0 C-N-CA 120.386 -0.912 . . . . 0.0 112.622 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . 0.541 HG22 ' OG1' ' A' ' 48' ' ' THR . 1.7 mp -60.73 135.91 24.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.216 0.531 . . . . 0.0 112.17 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 . . . . . 0 C--N 1.325 -0.483 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 171.18 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.511 HG22 HD11 ' A' ' 62' ' ' LEU . 21.3 t . . . . . 0 CA--C 1.534 0.35 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -171.07 25.71 0.1 OUTLIER Glycine 0 N--CA 1.448 -0.534 0 N-CA-C 110.363 -1.095 . . . . 0.0 110.363 177.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.469 ' CZ2' ' HA ' ' A' ' 16' ' ' PRO . 71.7 t90 -110.25 135.78 50.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.318 -0.441 . . . . 0.0 111.288 -174.102 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -116.38 133.6 22.95 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.586 -0.733 . . . . 0.0 109.691 173.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.469 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 81.0 Cg_exo -43.7 -39.86 10.51 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 124.76 3.64 . . . . 0.0 115.066 -175.162 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -105.61 -28.98 10.43 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -176.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -97.12 -16.29 20.54 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -171.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 86.82 -162.41 34.18 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.59 177.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -78.78 151.06 32.2 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.422 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 31.2 t70 -86.2 114.21 22.84 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 171.233 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.63 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 17.0 m -78.05 -2.92 5.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.63 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.966 -173.347 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -87.61 -47.93 8.3 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.138 175.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.402 HD21 ' HA ' ' A' ' 24' ' ' ASN . 9.0 m120 -99.1 45.96 0.99 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.08 0.467 . . . . 0.0 110.731 176.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.63 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 13.2 mt -81.59 122.33 27.45 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.564 175.726 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -53.04 129.58 49.0 Favored Pre-proline 0 C--N 1.328 -0.328 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 174.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -49.73 -34.23 34.86 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 124.092 3.195 . . . . 0.0 114.051 -174.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.477 ' CG ' ' HE ' ' A' ' 66' ' ' ARG . 1.0 OUTLIER -75.23 -44.82 44.06 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 179.372 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.48 HD22 HD22 ' A' ' 62' ' ' LEU . 94.9 mt -58.45 -46.51 86.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.955 0.407 . . . . 0.0 109.983 175.64 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.8 ttp180 -60.38 -41.14 93.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.592 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.669 ' HB3' ' HE2' ' A' ' 69' ' ' MET . 22.6 t -57.65 -49.39 76.62 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.208 0.528 . . . . 0.0 109.917 176.124 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.451 HD21 HG21 ' B' ' 79' ' ' VAL . 11.6 tp -62.48 -59.75 4.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.37 -0.832 . . . . 0.0 112.174 -177.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.45 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 9.5 m-30 -60.54 -33.75 73.12 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.593 -170.455 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.1 t -66.43 -36.47 82.87 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.721 177.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -68.98 -34.09 74.75 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.131 0.491 . . . . 0.0 110.474 176.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.01 -15.04 60.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.797 -175.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.02 -2.66 59.96 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.186 178.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.737 HD12 HD11 ' A' ' 52' ' ' ILE . 5.3 mt -74.85 112.06 11.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 177.376 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.4 t -90.16 174.82 7.41 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.583 -177.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.476 ' HA ' HG11 ' A' ' 22' ' ' VAL . 1.7 mp0 -52.0 -48.17 64.58 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.936 0.398 . . . . 0.0 111.365 -176.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.89 -36.65 81.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.205 0.526 . . . . 0.0 111.038 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.792 ' HG3' HG23 ' A' ' 48' ' ' THR . 3.8 tp60 -77.41 -27.32 52.29 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.636 -176.556 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.0 mt -74.82 -14.21 60.66 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.402 174.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.8 p -107.84 11.86 27.75 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 121.858 0.837 . . . . 0.0 109.423 178.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.591 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 34.0 t70 -80.43 163.23 23.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.422 175.421 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.46 -69.78 0.51 Allowed 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 -175.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -73.53 -36.12 65.64 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.771 -176.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.792 HG23 ' HG3' ' A' ' 42' ' ' GLN . 20.9 m -54.51 -50.33 68.08 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 111.76 0.281 . . . . 0.0 111.76 176.639 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 92.7 p -70.3 -39.71 74.67 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 120.873 -0.331 . . . . 0.0 111.557 -173.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -58.65 -43.42 89.81 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.956 -176.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.648 HD13 HG13 ' B' ' 92' ' ' ILE . 45.1 mt -66.45 -34.45 77.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.403 -178.383 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.737 HD11 HD12 ' A' ' 38' ' ' ILE . 34.2 mt -62.89 -45.22 99.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.144 176.147 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -63.43 -43.62 96.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.227 0.537 . . . . 0.0 109.918 178.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.36 -43.51 92.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.79 174.006 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.689 ' HE1' ' HG3' ' B' ' 82' ' ' ARG . 41.5 t80 -56.19 -46.84 79.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.01 176.161 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.655 HG21 HD21 ' A' ' 62' ' ' LEU . 96.5 mt -61.07 -43.83 97.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.068 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -64.64 -37.7 88.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.135 0.493 . . . . 0.0 110.131 176.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -62.88 -30.0 71.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.554 -178.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.518 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 62.3 mm-40 -86.14 -15.23 41.71 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.933 0.396 . . . . 0.0 111.36 -178.724 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.38 10.31 8.82 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.347 -0.93 . . . . 0.0 112.625 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.88 174.19 22.12 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.7 176.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.655 HD21 HG21 ' A' ' 56' ' ' ILE . 65.0 mt -52.54 -53.1 50.72 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.689 0.756 . . . . 0.0 111.607 -176.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -70.16 -22.41 62.98 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.871 -1.059 . . . . 0.0 112.042 -170.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.7 -37.71 48.99 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.181 0.515 . . . . 0.0 109.85 174.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.674 HG12 HG11 ' B' ' 79' ' ' VAL . 54.0 t -61.47 -36.6 74.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.229 176.498 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.489 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 73.3 mtp180 -59.14 -37.85 78.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.491 176.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -68.25 -41.46 81.1 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.03 -178.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.605 ' HG3' ' HA ' ' A' ' 65' ' ' VAL . 1.9 mm-40 -49.93 -35.74 25.15 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.872 0.732 . . . . 0.0 111.128 179.351 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.669 ' HE2' ' HB3' ' A' ' 31' ' ' SER . 39.5 mtt -56.93 -38.65 73.19 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.885 -176.459 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.32 -0.694 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.041 -177.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . 0.674 HG11 HG12 ' A' ' 65' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.315 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.413 ' O ' ' HG3' ' B' ' 84' ' ' MET . . . -53.91 -43.73 69.97 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 -170.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -69.37 -34.21 74.22 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.616 0.722 . . . . 0.0 109.638 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . 0.689 ' HG3' ' HE1' ' A' ' 55' ' ' PHE . 17.7 tpt180 -73.48 -16.8 61.29 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.503 -1.226 . . . . 0.0 110.142 -178.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . 0.502 HD13 ' CD2' ' A' ' 55' ' ' PHE . 23.3 tp -94.12 -36.34 12.12 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.926 -176.059 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' MET . . . . . 0.413 ' HG3' ' O ' ' B' ' 80' ' ' ALA . 66.0 mtt -53.93 -48.83 69.81 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.149 0.499 . . . . 0.0 110.038 175.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . 0.439 ' O ' ' HG2' ' B' ' 89' ' ' GLU . 63.9 mt-30 -64.83 -34.86 79.37 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.658 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . 0.501 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 19.5 t60 -63.92 -27.09 68.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.08 -175.655 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . 0.638 HD12 HG22 ' B' ' 92' ' ' ILE . 2.8 mm? -87.87 -52.75 5.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.009 0.433 . . . . 0.0 110.855 176.116 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -50.5 -40.6 51.8 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 -172.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' B' ' 85' ' ' GLN . 17.6 mm-40 -62.08 -20.69 64.27 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -175.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -102.74 5.73 39.04 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -174.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 76.95 20.34 76.15 Favored Glycine 0 C--N 1.328 0.124 0 C-N-CA 120.145 -1.026 . . . . 0.0 112.389 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . 0.648 HG13 HD13 ' A' ' 51' ' ' LEU . 41.9 mm -58.62 148.54 6.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 C-N-CA 123.442 0.697 . . . . 0.0 110.897 178.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 23.8 mp0 . . . . . 0 C--N 1.325 -0.472 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.329 -177.834 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.593 HG13 HD23 ' A' ' 62' ' ' LEU . 26.3 t . . . . . 0 CA--C 1.541 0.626 0 CA-C-O 120.971 0.415 . . . . 0.0 112.097 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 72.55 27.39 69.55 Favored Glycine 0 N--CA 1.45 -0.398 0 N-CA-C 110.389 -1.084 . . . . 0.0 110.389 -173.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.73 ' CZ2' ' HA ' ' A' ' 16' ' ' PRO . 67.2 t90 -126.4 141.0 52.05 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.151 -0.525 . . . . 0.0 111.218 -173.25 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.506 ' HB2' ' HB2' ' A' ' 18' ' ' ASN . 2.2 m-20 -124.32 129.24 24.77 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.417 173.179 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.73 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 95.9 Cg_exo -43.86 -45.85 11.07 Favored 'Trans proline' 0 N--CA 1.472 0.254 0 C-N-CA 123.643 2.895 . . . . 0.0 114.624 -171.52 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -103.16 -4.57 24.24 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 111.887 0.329 . . . . 0.0 111.887 -174.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.506 ' HB2' ' HB2' ' A' ' 15' ' ' ASP . 17.7 m120 -108.11 -35.9 6.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.585 0.231 . . . . 0.0 111.317 -176.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.511 ' HA2' ' OG ' ' A' ' 49' ' ' SER . . . 108.54 -163.57 12.74 Favored Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 121.029 -0.605 . . . . 0.0 112.576 179.093 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.406 ' CD1' ' HB2' ' A' ' 14' ' ' TRP . 89.3 m-85 -88.44 132.78 34.33 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 177.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -77.59 80.49 4.07 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 176.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.58 ' HA ' ' HB3' ' A' ' 25' ' ' LEU . 3.6 p -50.69 -26.03 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 C-N-CA 123.682 0.793 . . . . 0.0 112.242 -177.059 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -69.39 -40.16 77.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.861 0.362 . . . . 0.0 110.545 178.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -117.12 43.45 2.3 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.721 0.772 . . . . 0.0 109.035 178.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.58 ' HB3' ' HA ' ' A' ' 22' ' ' VAL . 0.1 OUTLIER -99.94 133.72 43.9 Favored 'General case' 0 N--CA 1.438 -1.025 0 CA-C-N 114.517 -1.219 . . . . 0.0 109.912 -172.576 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -54.43 132.1 62.68 Favored Pre-proline 0 N--CA 1.466 0.327 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.923 -173.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -53.29 -38.89 82.46 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 124.282 3.321 . . . . 0.0 113.957 -177.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -71.64 -37.87 70.79 Favored 'General case' 0 CA--C 1.519 -0.242 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.281 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.559 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 98.3 mt -64.69 -42.97 94.93 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 175.178 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -56.2 -41.41 75.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.929 176.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.5 t -58.66 -49.35 77.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.505 175.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.757 HD12 HG12 ' B' ' 79' ' ' VAL . 57.2 tp -64.39 -55.17 22.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.396 -0.82 . . . . 0.0 112.11 -175.348 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.559 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 12.4 m-30 -61.69 -37.17 83.12 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.226 -171.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.3 t -63.24 -26.78 68.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 177.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 35.5 mtt180 -80.6 -35.57 33.92 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.773 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.4 -28.56 62.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.395 -177.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.64 -3.56 23.16 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.427 -0.892 . . . . 0.0 111.79 -176.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.778 HD12 HD11 ' A' ' 52' ' ' ILE . 43.0 mt -63.45 115.21 2.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 C-N-CA 122.688 0.395 . . . . 0.0 111.068 178.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 97.5 p -88.85 179.57 6.18 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.859 179.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -57.73 -40.93 80.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.216 0.531 . . . . 0.0 109.652 172.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.06 -32.03 73.26 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.867 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.59 ' HB3' HG23 ' A' ' 48' ' ' THR . 32.1 mt-30 -77.0 -38.66 52.68 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.07 179.019 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.535 HD21 ' CD2' ' A' ' 33' ' ' PHE . 28.4 mt -65.31 -24.75 67.36 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.734 176.75 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.7 p -106.72 15.29 25.82 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.447 0.641 . . . . 0.0 110.271 178.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.474 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 30.8 t70 -90.37 135.15 33.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.002 176.223 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.95 -55.9 22.75 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-O 121.572 0.701 . . . . 0.0 111.044 179.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -70.36 -54.64 11.66 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 114.748 -1.115 . . . . 0.0 111.052 -170.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.661 HG22 HD13 ' A' ' 52' ' ' ILE . 17.5 m -51.44 -63.74 1.04 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.469 -0.787 . . . . 0.0 112.289 -179.637 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.511 ' OG ' ' HA2' ' A' ' 19' ' ' GLY . 97.6 p -59.91 -43.54 94.79 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -172.652 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.52 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 81.9 tttt -61.28 -38.64 87.52 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.715 -176.332 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.71 HD12 HD13 ' B' ' 92' ' ' ILE . 78.2 mt -81.36 -27.76 34.74 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.046 179.28 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.778 HD11 HD12 ' A' ' 38' ' ' ILE . 99.0 mt -58.64 -48.16 86.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 120.643 0.259 . . . . 0.0 110.381 171.006 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.423 ' CE1' HG22 ' A' ' 12' ' ' VAL . 62.5 t80 -61.62 -46.0 91.67 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.818 0.342 . . . . 0.0 110.567 178.521 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -54.55 -35.68 63.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.254 176.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.628 ' HE1' ' HG2' ' B' ' 82' ' ' ARG . 38.7 t80 -65.35 -49.8 68.01 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.01 174.651 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.493 HG21 HG22 ' A' ' 65' ' ' VAL . 98.2 mt -59.53 -37.66 71.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.49 -177.569 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -72.91 -20.25 61.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.256 0.55 . . . . 0.0 109.953 178.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.542 ' HB3' ' O ' ' A' ' 55' ' ' PHE . 27.7 t70 -70.82 -34.58 71.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.107 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -76.37 -20.25 57.36 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.819 0.342 . . . . 0.0 110.628 176.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.46 21.9 3.88 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.458 -0.877 . . . . 0.0 112.944 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 110.91 -177.74 19.38 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.474 -0.87 . . . . 0.0 113.058 173.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.593 HD23 HG13 ' A' ' 12' ' ' VAL . 96.5 mt -59.29 -52.02 67.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.766 0.317 . . . . 0.0 111.732 -176.159 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.401 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 10.9 mm-40 -62.43 -31.27 71.94 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.453 -175.658 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.78 -39.5 87.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.934 0.397 . . . . 0.0 110.897 -179.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.493 HG22 HG21 ' A' ' 56' ' ' ILE . 98.7 t -68.4 -30.36 47.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.492 0.663 . . . . 0.0 110.305 178.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.475 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 73.5 mtp180 -70.14 -26.81 64.12 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.909 177.313 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 63' ' ' GLU . 51.5 mt-30 -72.42 -35.64 68.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.428 174.596 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.585 ' CB ' ' HB ' ' B' ' 79' ' ' VAL . 46.4 mm-40 -58.53 -25.15 62.14 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.681 178.057 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.509 ' C ' ' HD2' ' A' ' 70' ' ' ARG . 21.0 mmt -61.1 -19.17 61.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.855 177.663 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.509 ' HD2' ' C ' ' A' ' 69' ' ' MET . 3.4 mpt_? . . . . . 0 C--N 1.33 -0.265 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 177.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . 0.757 HG12 HD12 ' A' ' 32' ' ' LEU . 2.0 p . . . . . 0 CA--C 1.543 0.704 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.485 ' O ' ' HG3' ' B' ' 84' ' ' MET . . . -52.85 -38.47 61.54 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -176.474 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' GLN . . . . . 0.468 ' HG3' ' N ' ' B' ' 82' ' ' ARG . 3.0 pt20 -64.27 -37.91 89.17 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.346 0.594 . . . . 0.0 110.629 -178.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . 0.628 ' HG2' ' HE1' ' A' ' 55' ' ' PHE . 38.7 ttm180 -72.93 -16.15 61.55 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.896 -176.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . 0.765 HD21 HD11 ' A' ' 38' ' ' ILE . 29.5 tp -90.18 -37.37 14.21 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.069 -177.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 84' ' ' MET . . . . . 0.485 ' HG3' ' O ' ' B' ' 80' ' ' ALA . 55.7 mtt -54.72 -41.03 69.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.318 178.088 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . 0.599 ' O ' ' HG2' ' B' ' 89' ' ' GLU . 2.5 tt0 -73.68 -40.77 63.42 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.855 -178.213 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . 0.623 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 48.9 t60 -57.05 -34.6 68.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.452 -175.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . 0.541 ' HB3' ' CG1' ' B' ' 92' ' ' ILE . 27.1 mt -85.74 -42.38 14.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.027 0.442 . . . . 0.0 110.742 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.92 -33.69 64.91 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.269 -0.878 . . . . 0.0 112.095 -178.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . 0.599 ' HG2' ' O ' ' B' ' 85' ' ' GLN . 18.8 mm-40 -58.78 -31.45 68.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.904 0.383 . . . . 0.0 111.697 179.346 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -93.5 -58.42 2.29 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.388 -175.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 147.45 29.1 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.226 -0.988 . . . . 0.0 113.277 179.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . 0.71 HD13 HD12 ' A' ' 51' ' ' LEU . 1.7 mp -55.19 139.83 13.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.956 0.408 . . . . 0.0 111.403 178.032 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 . . . . . 0 C--N 1.326 -0.427 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.668 -176.583 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.497 HG11 HD11 ' A' ' 62' ' ' LEU . 61.6 t . . . . . 0 CA--C 1.533 0.306 0 N-CA-C 111.637 0.236 . . . . 0.0 111.637 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -168.67 26.44 0.12 Allowed Glycine 0 N--CA 1.441 -1.013 0 N-CA-C 108.866 -1.693 . . . . 0.0 108.866 174.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.438 ' CZ2' ' HA ' ' A' ' 16' ' ' PRO . 64.5 t90 -117.18 132.39 56.66 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 114.661 -0.769 . . . . 0.0 111.472 -170.17 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -111.69 132.82 21.72 Favored Pre-proline 0 C--N 1.32 -0.676 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 171.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.438 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 11.7 Cg_endo -54.21 -31.26 65.35 Favored 'Trans proline' 0 CA--C 1.528 0.188 0 C-N-CA 123.527 2.818 . . . . 0.0 114.02 -173.711 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -106.04 -34.4 7.58 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.998 0.369 . . . . 0.0 111.998 -177.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -94.92 -9.52 33.9 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -173.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.68 -163.19 38.35 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 121.018 -0.61 . . . . 0.0 112.375 178.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.521 ' HE2' ' HB ' ' A' ' 52' ' ' ILE . 67.5 m-85 -73.33 142.54 47.09 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 175.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.469 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 12.8 t70 -83.93 114.29 21.58 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 174.242 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.605 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 24.4 m -71.48 -21.63 21.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 -169.71 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -96.19 -15.84 21.82 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.465 178.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.422 ' HB2' ' HB3' ' A' ' 21' ' ' ASP . 9.6 m120 -102.04 14.01 33.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.927 0.394 . . . . 0.0 110.243 172.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.605 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 17.9 mt -65.82 147.41 53.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.179 178.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.491 ' HB3' HD11 ' A' ' 29' ' ' LEU . 20.9 t70 -83.69 135.48 43.12 Favored Pre-proline 0 C--N 1.32 -0.674 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.525 178.089 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -42.54 -52.94 4.08 Favored 'Trans proline' 0 C--O 1.237 0.463 0 C-N-CA 123.335 2.69 . . . . 0.0 113.671 -177.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -69.67 -40.14 76.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.115 -176.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.493 HD21 HD23 ' A' ' 62' ' ' LEU . 89.8 mt -57.59 -47.23 82.68 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-O 121.114 0.483 . . . . 0.0 109.926 174.362 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -58.85 -44.39 90.97 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.334 -178.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.459 ' HB3' ' HE3' ' A' ' 69' ' ' MET . 8.2 t -58.78 -49.51 77.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.495 0.664 . . . . 0.0 110.088 176.633 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.828 HD22 HG12 ' B' ' 79' ' ' VAL . 0.6 OUTLIER -61.58 -56.5 19.21 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.655 -1.157 . . . . 0.0 111.49 -174.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.47 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 14.4 m-30 -55.56 -39.78 71.08 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.763 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.1 t -62.2 -35.8 79.97 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.972 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -69.65 -40.74 76.29 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 121.016 0.436 . . . . 0.0 110.621 178.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.531 ' O ' ' HG2' ' B' ' 84' ' ' MET . . . -64.36 -29.64 70.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.261 -177.107 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.44 -12.54 21.26 Favored Glycine 0 N--CA 1.45 -0.429 0 N-CA-C 111.426 -0.67 . . . . 0.0 111.426 -177.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.675 HD12 HD11 ' A' ' 52' ' ' ILE . 43.9 mt -62.72 105.21 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-O 121.118 0.485 . . . . 0.0 110.342 178.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.6 m -81.1 169.34 17.56 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.403 -177.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.455 ' HG3' HG13 ' A' ' 22' ' ' VAL . 43.1 tt0 -50.77 -45.13 58.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.569 -178.396 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.4 -53.96 51.17 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.957 177.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.652 ' HB3' HG23 ' A' ' 48' ' ' THR . 54.5 mt-30 -53.38 -36.04 60.97 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.031 179.141 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.422 HD13 HD11 ' A' ' 25' ' ' LEU . 64.1 mt -72.06 -10.92 60.45 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.322 179.591 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.8 p -113.28 16.34 19.07 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.476 0.655 . . . . 0.0 109.824 174.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -97.45 147.1 24.57 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.168 174.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.77 -68.55 0.35 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -171.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.463 ' CD ' ' H ' ' A' ' 47' ' ' GLU . 1.3 pm0 -64.34 -39.77 94.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.114 -173.181 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.652 HG23 ' HB3' ' A' ' 42' ' ' GLN . 3.6 m -53.54 -58.04 8.57 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.158 176.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 27.9 m -63.47 -36.34 83.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.723 -176.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 47.4 tttp -61.55 -43.58 98.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.867 0.365 . . . . 0.0 110.261 -179.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.668 HD22 HG13 ' B' ' 92' ' ' ILE . 5.2 mp -65.45 -42.42 92.38 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.284 177.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.675 HD11 HD12 ' A' ' 38' ' ' ILE . 57.9 mt -57.4 -48.21 83.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.5 177.421 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -62.25 -44.68 96.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.059 0.457 . . . . 0.0 110.236 179.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.28 -47.46 78.55 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.5 174.366 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.575 ' HE1' ' HG3' ' B' ' 82' ' ' ARG . 56.8 t80 -54.23 -51.03 65.75 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.994 176.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.653 HG22 HD22 ' A' ' 62' ' ' LEU . 94.6 mt -59.46 -43.21 90.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.103 -177.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -68.9 -32.86 72.8 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.994 0.426 . . . . 0.0 110.259 179.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -66.62 -34.12 77.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.678 178.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.466 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 84.7 mm-40 -80.94 -10.94 59.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.951 179.224 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.67 -14.79 10.62 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.653 -0.784 . . . . 0.0 113.534 176.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.484 ' O ' HG13 ' A' ' 65' ' ' VAL . . . 132.8 -172.19 21.41 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.321 -0.942 . . . . 0.0 112.762 178.573 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.653 HD22 HG22 ' A' ' 56' ' ' ILE . 70.1 mt -66.68 -58.81 4.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.897 0.379 . . . . 0.0 111.175 -174.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.61 ' HA ' ' HD2' ' A' ' 66' ' ' ARG . 2.3 mp0 -62.55 -26.31 68.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.404 -178.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.505 ' O ' ' HG2' ' A' ' 68' ' ' GLU . . . -64.15 -52.66 57.97 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.198 177.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.579 ' HA ' ' CG ' ' A' ' 68' ' ' GLU . 2.1 m -70.24 -21.53 23.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.222 -179.086 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.61 ' HD2' ' HA ' ' A' ' 63' ' ' GLU . 92.6 mtt180 -60.69 -37.14 80.67 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-O 121.125 0.488 . . . . 0.0 110.099 171.352 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -75.39 -38.2 60.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.462 -179.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.579 ' CG ' ' HA ' ' A' ' 65' ' ' VAL . 4.4 mm-40 -54.98 -31.88 61.18 Favored 'General case' 0 C--N 1.331 -0.215 0 O-C-N 123.491 0.494 . . . . 0.0 111.235 179.722 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.459 ' HE3' ' HB3' ' A' ' 31' ' ' SER . 37.0 mtt -50.08 -33.81 19.7 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.47 176.175 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 . . . . . 0 N--CA 1.448 -0.556 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.339 176.3 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . 0.828 HG12 HD22 ' A' ' 32' ' ' LEU . 3.4 p . . . . . 0 CA--C 1.542 0.657 0 CA-C-O 121.239 0.542 . . . . 0.0 111.26 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.443 ' O ' ' HG3' ' B' ' 84' ' ' MET . . . -53.79 -51.87 62.11 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 112.802 0.668 . . . . 0.0 112.802 179.1 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -68.02 -37.24 81.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.917 0.389 . . . . 0.0 111.172 -175.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . 0.575 ' HG3' ' HE1' ' A' ' 55' ' ' PHE . 21.5 tpp180 -55.55 -38.2 69.0 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.563 0.697 . . . . 0.0 109.865 174.313 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . 0.574 HD21 HD13 ' A' ' 38' ' ' ILE . 45.2 tp -75.95 -40.19 54.54 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.166 -0.924 . . . . 0.0 111.506 -178.589 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 84' ' ' MET . . . . . 0.531 ' HG2' ' O ' ' A' ' 36' ' ' ALA . 66.2 mtt -48.97 -54.03 17.31 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.32 0.581 . . . . 0.0 111.256 -179.193 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -67.53 -29.6 69.04 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.65 -175.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . 0.472 ' HA ' ' OE1' ' B' ' 89' ' ' GLU . 61.9 t60 -67.99 -20.76 65.06 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -176.029 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . 0.72 HD13 HG23 ' B' ' 92' ' ' ILE . 1.9 mm? -85.1 -43.26 14.05 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.375 -0.53 . . . . 0.0 110.365 174.49 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.23 -20.38 66.4 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.15 -176.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . 0.63 ' HG3' ' CD2' ' B' ' 90' ' ' HIS . 9.7 pt-20 -78.38 -10.71 59.8 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -175.544 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 90' ' ' HIS . . . . . 0.63 ' CD2' ' HG3' ' B' ' 89' ' ' GLU . 95.7 m-70 -124.62 16.22 8.81 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 113.113 0.783 . . . . 0.0 113.113 -175.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 63.38 44.57 96.62 Favored Glycine 0 N--CA 1.458 0.115 0 C-N-CA 120.346 -0.93 . . . . 0.0 112.076 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . 0.72 HG23 HD13 ' B' ' 87' ' ' LEU . 37.8 mm -82.59 144.93 9.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 C-N-CA 123.136 0.575 . . . . 0.0 110.098 -178.529 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 C--N 1.331 -0.22 0 CA-C-O 121.055 0.455 . . . . 0.0 110.829 -176.511 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.616 HG23 HD21 ' A' ' 62' ' ' LEU . 10.5 t . . . . . 0 N--CA 1.469 0.523 0 CA-C-O 121.788 0.804 . . . . 0.0 112.686 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 161.97 37.17 0.02 OUTLIER Glycine 0 N--CA 1.442 -0.904 0 N-CA-C 107.762 -2.135 . . . . 0.0 107.762 -173.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.547 ' CZ2' ' HA ' ' A' ' 16' ' ' PRO . 57.3 t90 -126.65 143.25 51.29 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 113.93 -1.135 . . . . 0.0 110.582 -167.11 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.566 ' HB3' ' HB2' ' A' ' 18' ' ' ASN . 9.5 t70 -125.18 134.12 25.46 Favored Pre-proline 0 C--N 1.32 -0.683 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 174.64 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.547 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 3.3 Cg_endo -45.48 -49.23 10.76 Favored 'Trans proline' 0 CA--C 1.53 0.303 0 C-N-CA 124.09 3.193 . . . . 0.0 114.503 -171.21 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -103.07 -1.07 29.79 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 120.743 0.306 . . . . 0.0 111.711 -173.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.566 ' HB2' ' HB3' ' A' ' 15' ' ' ASP . 10.2 m120 -112.41 -25.59 9.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.848 0.356 . . . . 0.0 111.734 -179.179 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.657 ' HA3' ' HA ' ' A' ' 44' ' ' THR . . . 96.7 -167.62 24.51 Favored Glycine 0 N--CA 1.442 -0.917 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.403 178.131 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.43 ' CD1' ' HB2' ' A' ' 14' ' ' TRP . 73.9 m-85 -76.42 140.53 41.35 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 178.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -71.44 97.68 1.68 Allowed 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 173.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.62 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 16.3 m -66.13 -6.71 4.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.754 -178.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -98.89 -9.86 23.64 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.21 175.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -117.88 13.97 14.14 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.238 179.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.62 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 19.4 mt -65.69 132.13 48.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.457 -175.677 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -72.91 138.25 79.63 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.041 -0.982 . . . . 0.0 109.624 175.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -49.74 -23.75 8.81 Favored 'Trans proline' 0 CA--C 1.531 0.342 0 C-N-CA 123.924 3.082 . . . . 0.0 114.191 -178.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -85.12 -44.65 12.79 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 179.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.2 mp -55.57 -46.68 77.18 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.103 0.478 . . . . 0.0 110.675 169.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -56.75 -33.84 66.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.184 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.41 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 23.0 t -70.44 -55.77 8.23 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.324 176.61 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.596 ' CD1' HG12 ' B' ' 79' ' ' VAL . 55.0 tp -59.91 -54.12 49.93 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.619 -0.718 . . . . 0.0 112.537 -171.043 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.482 ' HB3' ' HB ' ' A' ' 38' ' ' ILE . 14.6 m-30 -63.62 -36.2 83.03 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.751 -170.436 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 25.9 m -64.39 -36.78 85.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.882 176.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.41 ' HG3' ' O ' ' A' ' 31' ' ' SER . 78.4 mtp180 -76.27 -26.32 55.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.128 0.49 . . . . 0.0 110.076 178.64 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.32 -4.31 58.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.164 -0.926 . . . . 0.0 111.437 -177.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.93 -2.28 87.07 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.042 178.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.733 HD12 HD11 ' A' ' 52' ' ' ILE . 37.1 mt -70.33 105.2 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 CA-C-O 120.942 0.401 . . . . 0.0 110.185 177.099 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.5 t -81.19 171.24 15.12 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.78 177.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.466 ' HG3' HG13 ' A' ' 22' ' ' VAL . 30.2 tt0 -53.63 -38.6 64.22 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.951 0.405 . . . . 0.0 111.055 -177.179 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.71 -49.56 77.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.04 178.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.593 ' HB3' HG23 ' A' ' 48' ' ' THR . 36.7 mt-30 -59.28 -36.68 76.01 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.639 0.257 . . . . 0.0 111.612 -179.061 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.457 ' HG ' HG23 ' A' ' 38' ' ' ILE . 55.6 mt -66.36 -21.98 66.25 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 121.036 -0.265 . . . . 0.0 111.167 178.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.657 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 22.8 p -112.63 20.88 16.16 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.294 0.568 . . . . 0.0 110.415 179.526 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.648 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 27.5 t70 -98.54 134.54 41.35 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.209 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.9 -62.45 1.64 Allowed 'General case' 0 C--O 1.236 0.388 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -170.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -70.39 -47.68 59.73 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 121.127 -0.229 . . . . 0.0 111.154 -178.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.648 ' HB ' ' HB3' ' A' ' 45' ' ' ASP . 19.2 m -54.68 -53.27 57.05 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.2 t -63.98 -48.38 76.66 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.738 -172.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -65.85 -29.1 69.5 Favored 'General case' 0 C--N 1.334 -0.093 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.76 -177.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.804 HD11 HD11 ' B' ' 92' ' ' ILE . 68.1 mt -82.48 -24.29 34.28 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 121.031 -0.267 . . . . 0.0 111.484 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.733 HD11 HD12 ' A' ' 38' ' ' ILE . 75.1 mt -64.02 -45.83 95.6 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.228 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 165.028 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -59.15 -48.01 83.18 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.366 176.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.524 ' HB3' ' HA ' ' A' ' 51' ' ' LEU . 3.4 t70 -55.41 -41.67 73.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.698 174.528 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.547 ' HB3' ' O ' ' A' ' 52' ' ' ILE . 70.0 t80 -56.96 -51.94 67.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.658 176.24 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 77.6 mt -64.71 -41.28 91.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.026 -177.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -65.12 -38.7 91.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.316 177.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -60.16 -34.42 73.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.43 -179.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 25.2 mm-40 -79.3 -10.7 59.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.134 -177.135 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 112.64 19.84 6.79 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.469 -179.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 103.84 178.62 25.64 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.547 176.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.616 HD21 HG23 ' A' ' 12' ' ' VAL . 9.5 mp -59.82 -38.77 82.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.994 0.426 . . . . 0.0 111.216 -178.671 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.548 ' HA ' ' HD3' ' A' ' 66' ' ' ARG . 17.8 mm-40 -60.03 -28.2 67.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.004 -176.19 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.67 ' O ' ' HG2' ' A' ' 68' ' ' GLU . . . -71.88 -53.22 13.86 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.212 -179.541 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.519 ' HA ' ' CG ' ' A' ' 68' ' ' GLU . 53.5 t -57.44 -35.72 50.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.159 -179.518 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.548 ' HD3' ' HA ' ' A' ' 63' ' ' GLU . 45.0 mtp180 -58.82 -28.91 66.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.528 177.059 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.465 ' O ' ' HG2' ' A' ' 70' ' ' ARG . 51.3 mt-30 -93.38 -25.94 17.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.648 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.67 ' HG2' ' O ' ' A' ' 64' ' ' ALA . 3.6 mm-40 -63.07 -28.65 70.23 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.055 0.455 . . . . 0.0 110.344 176.502 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 13.5 mmt -52.6 -25.27 10.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.522 173.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.465 ' HG2' ' O ' ' A' ' 67' ' ' GLN . 6.3 ptp180 . . . . . 0 C--N 1.326 -0.422 0 CA-C-O 121.215 0.531 . . . . 0.0 109.912 177.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . 0.596 HG12 ' CD1' ' A' ' 32' ' ' LEU . 8.1 p . . . . . 0 CA--C 1.542 0.667 0 CA-C-O 121.244 0.545 . . . . 0.0 111.117 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.48 -50.49 51.98 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.929 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.65 -24.86 67.13 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 122.075 0.941 . . . . 0.0 109.39 177.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -72.76 -16.3 61.65 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 113.666 -1.606 . . . . 0.0 110.4 -177.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . 0.672 HD11 HD11 ' A' ' 38' ' ' ILE . 1.1 mt -87.67 -37.66 16.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.707 179.701 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 54.7 mtt -54.77 -42.0 71.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.19 177.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -66.0 -43.11 88.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.069 178.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . 0.477 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 48.7 t60 -71.75 -20.5 61.87 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 111.938 0.348 . . . . 0.0 111.938 -173.613 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . 0.459 ' HG ' HG21 ' A' ' 48' ' ' THR . 0.0 OUTLIER -87.24 -43.58 12.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.07 0.462 . . . . 0.0 110.311 173.828 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.95 -32.99 71.33 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.549 -178.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . 0.568 ' HG3' ' CD2' ' B' ' 90' ' ' HIS . 8.7 pt-20 -72.11 -6.42 42.43 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -177.198 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 90' ' ' HIS . . . . . 0.568 ' CD2' ' HG3' ' B' ' 89' ' ' GLU . 96.1 m-70 -129.04 13.5 6.24 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.457 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 73.37 30.22 62.86 Favored Glycine 0 CA--C 1.521 0.423 0 C-N-CA 120.695 -0.764 . . . . 0.0 113.879 174.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . 0.804 HD11 HD11 ' A' ' 51' ' ' LEU . 1.6 mp -60.73 153.08 5.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 C-N-CA 122.732 0.413 . . . . 0.0 110.772 172.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.182 175.792 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.502 HG22 HD11 ' A' ' 29' ' ' LEU . 7.2 p . . . . . 0 N--CA 1.48 1.063 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -177.57 33.89 0.08 OUTLIER Glycine 0 N--CA 1.445 -0.741 0 N-CA-C 110.302 -1.119 . . . . 0.0 110.302 -179.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 84.2 t90 -115.78 132.77 56.54 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.3 -0.45 . . . . 0.0 111.071 -174.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -121.87 144.61 41.37 Favored Pre-proline 0 C--N 1.323 -0.575 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 172.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -52.31 -37.07 70.59 Favored 'Trans proline' 0 N--CA 1.477 0.533 0 C-N-CA 123.955 3.104 . . . . 0.0 115.676 -167.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -98.42 -44.29 6.57 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -174.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.458 ' O ' ' HA ' ' A' ' 44' ' ' THR . 3.3 p-10 -93.05 -0.58 57.09 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.742 -174.543 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 75.51 -137.1 21.26 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.722 -0.752 . . . . 0.0 113.05 175.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.514 ' HE2' ' HB ' ' A' ' 52' ' ' ILE . 65.4 m-85 -85.02 135.37 34.04 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.034 0.445 . . . . 0.0 110.622 -178.242 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.431 ' OD1' ' HB3' ' A' ' 23' ' ' ASN . 12.0 t70 -73.27 97.63 2.5 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 175.178 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.628 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 7.4 p -60.19 -25.34 33.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.644 -175.689 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.431 ' HB3' ' OD1' ' A' ' 21' ' ' ASP . 7.1 t30 -69.29 -41.28 76.99 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.015 0.436 . . . . 0.0 110.425 178.268 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -98.7 18.5 16.73 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.767 -176.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.628 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 23.9 mt -65.8 129.99 41.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.265 0.555 . . . . 0.0 111.199 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -67.64 136.57 92.81 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.325 173.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -48.95 -30.89 18.8 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 123.974 3.116 . . . . 0.0 113.824 -179.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -77.16 -41.32 42.15 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 110.46 -0.2 . . . . 0.0 110.46 178.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.502 HD11 HG22 ' A' ' 12' ' ' VAL . 98.1 mt -64.36 -45.58 87.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.982 0.42 . . . . 0.0 110.151 175.651 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 30' ' ' ARG . 7.9 tpt85 -54.56 -42.55 71.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.394 178.064 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.425 ' HB3' ' HE3' ' A' ' 69' ' ' MET . 7.9 t -61.98 -53.64 52.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.09 177.655 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.414 ' HB2' ' HE1' ' A' ' 69' ' ' MET . 20.8 tp -57.42 -57.47 12.53 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 116.004 -0.544 . . . . 0.0 112.299 -175.011 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.425 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 18.4 m-30 -58.46 -41.9 86.23 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.716 -169.329 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.9 m -67.94 -29.6 68.7 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.458 178.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' A' ' 35' ' ' ARG . 14.9 mtp180 -71.38 -28.03 63.75 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.127 0.489 . . . . 0.0 110.485 174.233 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.47 1.5 54.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.615 -176.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.25 -20.85 45.62 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 121.243 -0.504 . . . . 0.0 111.872 -179.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.885 HD12 HD11 ' A' ' 52' ' ' ILE . 14.7 mt -62.58 105.53 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.144 0.497 . . . . 0.0 110.556 -179.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.7 m -94.58 -174.9 3.45 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.937 -178.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -51.23 -50.38 59.26 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 122.727 0.411 . . . . 0.0 111.512 -177.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.11 -50.01 72.27 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.496 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.602 ' HB3' HG23 ' A' ' 48' ' ' THR . 42.2 mt-30 -61.4 -33.92 74.49 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -177.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.476 HD12 HD13 ' A' ' 25' ' ' LEU . 39.5 mt -74.11 -13.8 60.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.718 0.294 . . . . 0.0 111.355 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.458 ' HA ' ' O ' ' A' ' 18' ' ' ASN . 3.6 p -115.08 19.22 15.87 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.394 0.616 . . . . 0.0 110.344 176.587 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.01 143.66 32.28 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.439 176.142 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.79 -69.1 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -172.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -60.94 -45.65 93.86 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.408 -173.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.623 ' O ' HG13 ' A' ' 52' ' ' ILE . 16.8 m -51.97 -59.9 3.81 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 178.286 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.9 m -62.79 -35.91 81.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.821 -174.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -61.01 -39.92 91.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.936 0.398 . . . . 0.0 110.48 -178.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.54 HD12 HD11 ' B' ' 92' ' ' ILE . 63.9 mt -73.97 -36.54 64.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.142 179.427 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.885 HD11 HD12 ' A' ' 38' ' ' ILE . 28.8 mt -61.16 -44.24 97.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.935 0.398 . . . . 0.0 110.473 176.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -65.93 -40.81 91.73 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.936 179.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -60.17 -40.69 90.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.34 173.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.571 ' CZ ' HG13 ' B' ' 79' ' ' VAL . 38.9 t80 -59.84 -49.61 77.03 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.164 177.55 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.44 HG12 HG22 ' A' ' 65' ' ' VAL . 96.5 mt -57.82 -45.35 87.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.658 179.383 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -65.4 -40.39 93.36 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.333 176.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -63.27 -31.66 72.87 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.776 -178.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -78.53 0.17 27.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.995 0.426 . . . . 0.0 111.451 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.43 -14.97 10.78 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.354 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 133.79 178.91 15.91 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.669 178.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.408 ' O ' ' HG3' ' A' ' 66' ' ' ARG . 22.7 tp -60.09 -31.08 69.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.659 0.266 . . . . 0.0 111.624 -176.178 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.468 ' O ' ' HG2' ' A' ' 67' ' ' GLN . 1.8 tt0 -70.86 -42.43 70.12 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.862 -178.381 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.456 ' O ' ' HG3' ' A' ' 68' ' ' GLU . . . -59.56 -41.56 90.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.419 -174.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.538 HG11 HG11 ' B' ' 79' ' ' VAL . 82.7 t -63.69 -39.22 84.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.559 -178.028 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 66' ' ' ARG . 30.4 mtp180 -66.19 -29.99 70.37 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.386 179.199 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' A' ' 63' ' ' GLU . 15.4 mm-40 -74.8 -36.63 62.46 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.319 -179.119 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.504 ' HB2' HG23 ' B' ' 79' ' ' VAL . 19.1 mt-10 -62.14 -23.04 66.33 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.802 -175.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.425 ' HE3' ' HB3' ' A' ' 31' ' ' SER . 12.4 mmt -56.26 -36.69 68.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.443 0.64 . . . . 0.0 110.815 177.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.442 -0.835 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.334 179.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . 0.571 HG13 ' CZ ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.466 0.335 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -54.83 -41.42 70.67 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 -170.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -69.7 -32.82 71.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.548 0.689 . . . . 0.0 109.75 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . 0.438 ' HG3' ' HE1' ' A' ' 55' ' ' PHE . 17.2 tpt180 -76.13 -15.2 60.12 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.632 -1.167 . . . . 0.0 109.947 -176.266 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . 0.553 HD11 ' CD1' ' A' ' 38' ' ' ILE . 1.7 mt -84.12 -39.12 19.87 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.078 -179.597 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 63.8 mtt -58.65 -35.28 72.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.156 0.503 . . . . 0.0 109.797 178.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -73.55 -36.16 65.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.592 178.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . 0.438 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 27.3 t60 -71.69 -36.43 70.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.481 -171.34 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . 0.643 HD11 HG13 ' B' ' 92' ' ' ILE . 0.6 OUTLIER -77.42 -38.22 50.15 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.866 177.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.37 -24.16 66.28 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -172.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -83.98 4.11 31.26 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -174.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -125.62 -97.36 0.42 Allowed 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 119.964 -0.694 . . . . 0.0 112.107 -178.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -166.48 56.33 0.24 Allowed Glycine 0 N--CA 1.453 -0.187 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -177.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . 0.643 HG13 HD11 ' B' ' 87' ' ' LEU . 22.2 mm -96.58 147.74 5.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.241 -0.479 . . . . 0.0 110.963 -173.333 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 . . . . . 0 C--N 1.328 -0.361 0 CA-C-O 120.968 0.413 . . . . 0.0 110.215 176.964 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.493 HG22 ' O ' ' A' ' 12' ' ' VAL . 12.6 p . . . . . 0 N--CA 1.478 0.961 0 N-CA-C 113.858 1.058 . . . . 0.0 113.858 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 56.22 24.52 44.71 Favored Glycine 0 CA--C 1.521 0.455 0 C-N-CA 121.277 -0.487 . . . . 0.0 112.891 179.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.512 ' CZ2' ' HA ' ' A' ' 16' ' ' PRO . 67.0 t90 -116.33 139.15 50.71 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.819 0.342 . . . . 0.0 110.643 -175.627 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -123.69 134.59 25.4 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 174.491 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.512 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 1.0 OUTLIER -42.79 -39.43 7.39 Favored 'Trans proline' 0 CA--C 1.535 0.557 0 C-N-CA 124.28 3.32 . . . . 0.0 115.675 -170.156 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -103.47 -43.56 5.37 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 122.143 -0.348 . . . . 0.0 111.934 -173.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -85.86 -7.88 58.43 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -175.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.402 ' HA3' ' HA ' ' A' ' 44' ' ' THR . . . 80.62 -154.3 35.98 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.781 -0.723 . . . . 0.0 113.11 175.153 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -78.91 131.88 36.55 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -76.09 84.29 2.94 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 174.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.696 ' HA ' ' HB3' ' A' ' 25' ' ' LEU . 24.8 m -54.07 -25.78 13.53 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.556 -175.517 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 30.8 p-10 -80.9 -10.09 59.76 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 120.967 0.413 . . . . 0.0 110.962 -179.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -127.61 19.09 6.77 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 175.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.696 ' HB3' ' HA ' ' A' ' 22' ' ' VAL . 0.2 OUTLIER -94.1 133.94 37.05 Favored 'General case' 0 N--CA 1.435 -1.202 0 CA-C-N 114.809 -1.087 . . . . 0.0 110.285 -168.924 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.458 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 11.9 t70 -58.3 129.62 83.52 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.392 -176.318 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 26' ' ' ASP . 52.3 Cg_exo -55.53 -29.81 71.21 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 124.076 3.184 . . . . 0.0 114.148 -177.183 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -76.37 -43.63 39.89 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 -178.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.524 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 95.8 mt -59.89 -43.78 94.61 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 171.251 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -56.0 -43.38 77.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.676 179.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.5 t -60.05 -51.1 71.1 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.063 175.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.956 HD22 HG12 ' B' ' 79' ' ' VAL . 1.3 tm? -59.47 -55.4 35.05 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.948 -1.024 . . . . 0.0 111.592 -174.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.537 ' HB3' HD23 ' A' ' 43' ' ' LEU . 14.5 m-85 -59.96 -43.89 94.77 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.044 -178.116 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.6 t -65.05 -33.79 76.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.653 178.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.5 mtt180 -65.64 -28.05 68.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.102 0.477 . . . . 0.0 110.998 175.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.88 10.09 30.19 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.32 -177.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.08 -13.35 65.03 Favored Glycine 0 C--N 1.331 0.251 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.972 175.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.606 HD12 ' CD1' ' A' ' 52' ' ' ILE . 6.8 mt -70.92 112.55 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.878 0.37 . . . . 0.0 111.133 -179.599 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.4 t -73.85 165.21 25.52 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.276 176.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -59.63 -40.72 88.54 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.947 0.404 . . . . 0.0 110.921 -179.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.62 -30.17 71.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.503 0.668 . . . . 0.0 110.491 177.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.628 ' HG3' HG23 ' A' ' 48' ' ' THR . 2.6 tp-100 -76.81 -22.89 52.97 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.948 -179.281 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.537 HD23 ' HB3' ' A' ' 33' ' ' PHE . 87.0 mt -72.67 -18.71 61.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.533 175.408 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.402 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 52.1 p -97.89 2.68 49.46 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.307 0.575 . . . . 0.0 110.104 176.693 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.633 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 28.8 t70 -72.11 138.61 47.87 Favored 'General case' 0 CA--C 1.522 -0.115 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.858 175.656 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.43 -62.72 1.58 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -174.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.5 pm0 -70.31 -43.46 70.29 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 121.326 -0.15 . . . . 0.0 111.324 -176.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.633 ' HB ' ' HB3' ' A' ' 45' ' ' ASP . 38.9 m -54.54 -55.68 26.73 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.402 ' HB3' ' O ' ' A' ' 43' ' ' LEU . 92.5 p -66.35 -41.76 89.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.676 0.274 . . . . 0.0 111.219 -175.023 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -56.83 -43.57 81.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.701 -178.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.863 HD11 HD11 ' B' ' 92' ' ' ILE . 85.3 mt -81.06 -24.99 37.43 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.246 -176.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.606 ' CD1' HD12 ' A' ' 38' ' ' ILE . 45.9 mt -63.23 -45.37 98.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.373 168.334 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -60.64 -45.86 92.48 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.897 0.38 . . . . 0.0 110.248 177.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -57.32 -38.41 73.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.369 174.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 1.012 ' HE1' ' HG3' ' B' ' 82' ' ' ARG . 46.5 t80 -59.39 -46.91 87.35 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.363 176.042 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 52' ' ' ILE . 77.4 mt -64.31 -38.97 83.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.368 -177.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -66.47 -37.01 84.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.245 175.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.453 ' HB3' ' O ' ' A' ' 55' ' ' PHE . 20.7 t70 -58.41 -33.4 69.62 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.345 178.635 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.451 ' NE2' ' HG2' ' B' ' 82' ' ' ARG . 89.4 mm-40 -78.89 -19.97 50.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.375 -179.277 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 117.4 8.02 11.69 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.578 -0.82 . . . . 0.0 111.973 -176.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.67 -170.2 13.31 Favored Glycine 0 N--CA 1.44 -1.04 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.45 177.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.42 HD23 HG21 ' A' ' 12' ' ' VAL . 9.3 mp -71.74 -33.76 68.96 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.638 0.256 . . . . 0.0 111.57 -173.595 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -70.17 -28.94 65.73 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.898 0.38 . . . . 0.0 110.639 -177.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.457 ' O ' ' HG2' ' A' ' 68' ' ' GLU . . . -68.68 -51.06 45.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.789 179.699 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 45.9 t -59.52 -36.96 67.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.455 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 65.9 mtt180 -58.6 -31.2 67.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.226 176.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -87.11 -29.3 21.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.469 -177.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.723 ' CB ' ' HB ' ' B' ' 79' ' ' VAL . 7.5 mm-40 -63.74 -20.92 66.12 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.656 0.265 . . . . 0.0 110.72 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.521 ' HE1' ' HB2' ' A' ' 32' ' ' LEU . 9.5 mmt -55.13 -19.9 8.77 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.653 178.225 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 . . . . . 0 N--CA 1.447 -0.587 0 CA-C-O 121.309 0.576 . . . . 0.0 110.222 175.653 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . 0.956 HG12 HD22 ' A' ' 32' ' ' LEU . 2.3 p . . . . . 0 CA--C 1.536 0.437 0 CA-C-O 121.116 0.484 . . . . 0.0 111.067 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -54.56 -30.15 53.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.125 0.488 . . . . 0.0 111.153 176.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 81' ' ' GLN . . . . . 0.582 ' HA ' ' HE1' ' B' ' 84' ' ' MET . 11.1 pt20 -70.84 -36.22 72.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.634 -178.786 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . 1.012 ' HG3' ' HE1' ' A' ' 55' ' ' PHE . 23.4 tpt180 -75.73 -20.74 58.12 Favored 'General case' 0 N--CA 1.44 -0.927 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.547 -176.108 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . 0.52 HD13 ' CG ' ' A' ' 55' ' ' PHE . 14.5 tp -81.89 -41.84 20.38 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.557 -179.639 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 84' ' ' MET . . . . . 0.582 ' HE1' ' HA ' ' B' ' 81' ' ' GLN . 60.7 mtm -61.22 -40.33 93.6 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.972 0.415 . . . . 0.0 110.669 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . 0.527 ' O ' ' HG2' ' B' ' 89' ' ' GLU . 15.2 mm100 -65.8 -42.91 90.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.58 178.331 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . 0.432 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 78.4 t60 -66.48 -33.18 75.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.336 -175.347 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . 0.626 HD22 HG12 ' B' ' 92' ' ' ILE . 87.5 mt -77.65 -39.43 45.12 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.052 0.453 . . . . 0.0 110.696 179.478 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.27 -14.22 36.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.712 179.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . 0.527 ' HG2' ' O ' ' B' ' 85' ' ' GLN . 21.7 mm-40 -73.25 -18.72 61.2 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -126.07 -24.19 3.78 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 -173.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 108.25 48.19 0.89 Allowed Glycine 0 CA--C 1.518 0.227 0 C-N-CA 120.164 -1.017 . . . . 0.0 113.475 176.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . 0.863 HD11 HD11 ' A' ' 51' ' ' LEU . 1.7 mp -64.2 145.79 13.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 122.44 0.296 . . . . 0.0 110.807 173.105 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.363 177.663 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.744 0 N-CA-C 112.623 -0.191 . . . . 0.0 112.623 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 43.0 m80 -147.6 39.76 0.98 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 176.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 20.5 ptm -61.36 -61.69 2.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.922 -174.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.3 m -158.33 125.25 4.88 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 73.33 72.96 0.93 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.633 176.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 22.9 p90 -87.15 118.28 26.45 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.143 0.496 . . . . 0.0 110.515 178.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -83.24 57.18 3.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.499 0.666 . . . . 0.0 110.588 -177.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.417 ' HB3' ' CA ' ' A' ' 61' ' ' GLY . 6.7 p-80 -178.62 96.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.718 -1.128 . . . . 0.0 108.486 -179.282 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.472 HG11 ' H ' ' A' ' 11' ' ' HIS . 31.2 t -72.66 121.08 22.43 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 -174.5 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.8 m -63.64 -15.53 58.52 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.259 -176.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.472 ' H ' HG11 ' A' ' 9' ' ' VAL . 20.9 m170 -57.91 -60.16 4.14 Favored 'General case' 0 C--O 1.221 -0.402 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 170.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.547 HG22 ' O ' ' A' ' 12' ' ' VAL . 14.1 p 35.75 36.81 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.556 1.187 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 174.271 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 53.28 29.06 36.6 Favored Glycine 0 CA--C 1.522 0.474 0 O-C-N 121.727 -0.608 . . . . 0.0 112.804 -177.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.571 ' CH2' ' HA ' ' A' ' 16' ' ' PRO . 59.5 t90 -120.76 143.57 48.74 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 122.888 0.475 . . . . 0.0 110.18 -175.514 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -111.13 129.03 24.43 Favored Pre-proline 0 C--N 1.318 -0.785 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 174.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.571 ' HA ' ' CH2' ' A' ' 14' ' ' TRP . 4.2 Cg_endo -46.78 -32.45 12.28 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 124.287 3.325 . . . . 0.0 114.231 -174.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -105.56 -53.49 2.64 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -178.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -92.57 14.24 17.48 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.67 0.618 . . . . 0.0 112.67 -169.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.506 ' HA2' ' OG ' ' A' ' 49' ' ' SER . . . 82.2 -166.62 46.37 Favored Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.598 -0.811 . . . . 0.0 113.906 169.614 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.557 ' HA ' ' HA ' ' A' ' 14' ' ' TRP . 87.8 m-85 -70.55 130.14 41.07 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.142 -0.529 . . . . 0.0 110.703 -178.441 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -74.69 91.76 2.4 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 175.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.672 ' HA ' ' HB3' ' A' ' 25' ' ' LEU . 31.5 m -60.63 -11.74 4.2 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -173.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -83.93 -32.72 24.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.166 0.508 . . . . 0.0 109.78 175.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -109.94 28.51 8.52 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.003 177.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.672 ' HB3' ' HA ' ' A' ' 22' ' ' VAL . 0.7 OUTLIER -98.15 123.71 42.34 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-N 115.133 -0.939 . . . . 0.0 109.576 -172.29 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.548 ' OD2' ' HB2' ' A' ' 28' ' ' ASP . 28.6 t70 -58.67 129.47 84.78 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.114 -176.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 26' ' ' ASP . 51.9 Cg_exo -56.05 -34.58 92.94 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 123.954 3.103 . . . . 0.0 113.682 -178.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.548 ' HB2' ' OD2' ' A' ' 26' ' ' ASP . 6.4 m-20 -67.89 -44.76 76.25 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 120.993 0.425 . . . . 0.0 109.889 178.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.59 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 96.9 mt -59.31 -46.78 87.64 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.647 172.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.0 ttt180 -56.31 -39.9 73.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.815 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.427 ' HB3' ' HE2' ' A' ' 69' ' ' MET . 8.1 t -57.84 -53.55 57.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.728 176.409 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.837 HD12 HG12 ' B' ' 79' ' ' VAL . 45.0 tp -58.32 -50.91 71.95 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.058 -0.974 . . . . 0.0 111.572 -177.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.59 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 17.2 m-30 -62.58 -42.09 99.34 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.386 -173.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.7 t -64.95 -33.49 76.17 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.725 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' A' ' 31' ' ' SER . 98.8 mtt180 -67.91 -45.82 73.32 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.371 0.605 . . . . 0.0 110.103 175.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.414 ' HB1' ' HB3' ' B' ' 83' ' ' LEU . . . -64.91 -23.81 67.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.617 -1.174 . . . . 0.0 111.628 -176.109 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 115.0 -17.48 17.32 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.896 -0.669 . . . . 0.0 111.553 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.72 HD12 HD11 ' A' ' 52' ' ' ILE . 6.1 mt -65.06 111.6 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 CA-C-N 115.098 -0.551 . . . . 0.0 110.384 178.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.9 t -91.46 179.94 5.54 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.368 178.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.499 ' HG3' HG12 ' A' ' 22' ' ' VAL . 45.0 tt0 -54.16 -46.05 72.21 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 122.897 0.479 . . . . 0.0 111.058 -177.392 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.92 -53.77 54.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.179 176.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.568 ' HB3' HG23 ' A' ' 48' ' ' THR . 50.1 mt-30 -57.59 -41.05 80.39 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.991 -0.284 . . . . 0.0 111.08 -179.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.5 mt -60.73 -26.24 67.04 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.476 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.9 p -102.61 13.36 34.68 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.141 0.496 . . . . 0.0 110.818 -177.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.434 ' OD1' ' HB2' ' B' ' 99' ' ' ALA . 9.2 t70 -93.9 152.31 18.96 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.783 176.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.46 -69.2 0.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -174.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -65.85 -37.05 85.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.758 -172.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.603 ' HA ' HG13 ' B' ' 92' ' ' ILE . 35.7 m -58.77 -60.1 4.38 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.696 179.328 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.506 ' OG ' ' HA2' ' A' ' 19' ' ' GLY . 96.8 p -66.91 -36.26 81.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 0.0 111.478 -174.52 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.4 tttp -56.57 -43.94 80.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.094 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.653 HD11 HD13 ' B' ' 92' ' ' ILE . 42.2 mt -80.36 -22.85 40.97 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.551 -179.058 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.72 HD11 HD12 ' A' ' 38' ' ' ILE . 59.9 mt -65.13 -42.81 95.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.639 0.257 . . . . 0.0 110.827 170.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -64.03 -46.61 83.69 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.264 -0.575 . . . . 0.0 110.171 176.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -56.5 -38.96 72.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.184 0.516 . . . . 0.0 110.107 175.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.618 ' HB3' ' O ' ' A' ' 52' ' ' ILE . 32.6 t80 -54.72 -56.69 16.53 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.349 -0.842 . . . . 0.0 110.713 173.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.7 HG23 HD23 ' A' ' 62' ' ' LEU . 68.7 mt -59.12 -37.87 70.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.231 -177.363 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -75.0 -23.96 58.34 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.707 -177.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -64.93 -39.25 93.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -85.57 1.99 46.77 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 120.66 -0.416 . . . . 0.0 111.576 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.32 -26.26 7.45 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.185 -1.007 . . . . 0.0 113.802 175.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.417 ' CA ' ' HB3' ' A' ' 8' ' ' HIS . . . 148.72 -165.6 29.2 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 119.679 -1.248 . . . . 0.0 113.536 178.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.7 HD23 HG23 ' A' ' 56' ' ' ILE . 96.7 mt -67.24 -50.36 60.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.858 0.361 . . . . 0.0 111.429 -174.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.562 ' O ' ' HG2' ' A' ' 67' ' ' GLN . 6.1 mm-40 -61.07 -32.73 72.37 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.342 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.58 -50.38 67.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.649 -175.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.96 ' HA ' ' HG3' ' A' ' 68' ' ' GLU . 5.3 m -71.2 -26.51 27.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.031 0.444 . . . . 0.0 110.424 -178.001 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.483 ' O ' ' HB2' ' A' ' 69' ' ' MET . 63.3 mtt180 -66.35 -35.65 80.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.909 174.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.562 ' HG2' ' O ' ' A' ' 63' ' ' GLU . 14.4 mm100 -69.3 -34.8 75.23 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.5 177.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.96 ' HG3' ' HA ' ' A' ' 65' ' ' VAL . 3.3 mt-10 -59.63 -29.99 68.4 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.263 0.352 . . . . 0.0 110.278 177.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.565 ' HA ' ' HB2' ' B' ' 78' ' ' ASP . 36.8 mtt -56.39 -36.34 68.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.962 0.41 . . . . 0.0 110.784 178.363 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.0 mpt_? -107.86 13.91 25.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.275 -178.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.1 tmm_? -140.86 -63.03 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.362 0.505 . . . . 0.0 112.362 -171.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.023 0 CA-C-O 117.882 -1.056 . . . . 0.0 110.122 -175.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.825 0 N-CA-C 111.289 -0.724 . . . . 0.0 111.289 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -71.42 -7.48 47.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.801 0.301 . . . . 0.0 111.364 -173.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' MET . . . . . . . . . . . . . 50.2 ttm -78.64 69.88 4.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.314 0.578 . . . . 0.0 110.89 179.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . 0.705 ' HB2' ' HB3' ' B' ' 81' ' ' GLN . 28.9 mt -119.83 146.69 42.42 Favored Pre-proline 0 C--N 1.327 -0.413 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.808 175.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -88.3 11.12 3.18 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 123.013 2.475 . . . . 0.0 113.804 -173.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' ASP . . . . . 0.565 ' HB2' ' HA ' ' A' ' 69' ' ' MET . 9.3 p-10 -143.13 -168.57 2.83 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.843 0.354 . . . . 0.0 111.361 -176.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . 0.837 HG12 HD12 ' A' ' 32' ' ' LEU . 2.4 p -60.82 -17.74 16.08 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 CA-C-N 115.755 -0.657 . . . . 0.0 112.407 -178.138 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.405 ' HA ' HD11 ' A' ' 32' ' ' LEU . . . -62.33 -32.28 73.02 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -176.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' GLN . . . . . 0.705 ' HB3' ' HB2' ' B' ' 76' ' ' LEU . 2.4 pt20 -65.89 -35.87 81.83 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.414 0.626 . . . . 0.0 109.391 177.375 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . 0.514 ' N ' ' HG3' ' B' ' 81' ' ' GLN . 4.6 tpp180 -63.25 -23.73 67.55 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 114.73 -1.123 . . . . 0.0 110.485 -176.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . 0.609 ' HG ' ' CZ ' ' A' ' 55' ' ' PHE . 1.8 mt -82.03 -37.15 26.94 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.878 -176.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 59.5 mtt -59.64 -35.9 75.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.628 -178.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -71.03 -40.48 71.71 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.775 178.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . 0.478 ' HA ' ' OE2' ' B' ' 89' ' ' GLU . 30.7 t60 -73.96 -29.02 61.77 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -169.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.639 ' HA ' HD11 ' B' ' 92' ' ' ILE . 0.3 OUTLIER -80.66 -38.7 28.58 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.17 -0.612 . . . . 0.0 110.075 174.45 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.53 -32.06 71.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.7 -176.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.478 ' OE2' ' HA ' ' B' ' 86' ' ' HIS . 13.0 pt-20 -74.37 0.15 15.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.884 -177.15 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 -122.21 -64.19 1.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.575 -0.45 . . . . 0.0 112.191 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 148.98 32.19 0.05 OUTLIER Glycine 0 C--N 1.329 0.185 0 C-N-CA 120.422 -0.894 . . . . 0.0 112.929 -179.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . 0.653 HD13 HD11 ' A' ' 51' ' ' LEU . 1.7 mp -59.37 143.96 13.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.922 0.391 . . . . 0.0 111.626 178.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . 0.424 ' HA ' ' HD3' ' B' ' 94' ' ' PRO . 5.0 tp-100 -82.54 126.26 74.09 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.084 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' B' ' 93' ' ' GLN . 30.6 Cg_exo -60.86 159.57 28.63 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 123.539 2.826 . . . . 0.0 113.143 -178.074 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.11 82.63 0.98 Allowed 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.57 179.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . 0.611 ' HG3' ' OD1' ' B' ' 97' ' ' ASN . 16.3 tpt180 -156.81 -79.75 0.08 Allowed 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.618 -175.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' ASN . . . . . 0.611 ' OD1' ' HG3' ' B' ' 96' ' ' ARG . 3.9 p-10 -174.01 -171.68 0.65 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 177.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' MET . . . . . . . . . . . . . 25.7 ttt 65.94 30.88 9.57 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.862 0.839 . . . . 0.0 110.178 -177.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' ALA . . . . . 0.434 ' HB2' ' OD1' ' A' ' 45' ' ' ASP . . . -93.43 174.14 7.35 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.225 179.066 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -73.52 -55.76 5.91 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.82 -178.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 25.8 p-80 -69.56 144.77 52.99 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.716 -175.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' ILE . . . . . 0.42 ' HA ' ' HD3' ' B' ' 103' ' ' PRO . 43.0 pt -113.55 152.1 45.09 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.253 -176.49 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' B' ' 102' ' ' ILE . 7.8 Cg_exo -72.86 133.9 20.83 Favored 'Trans proline' 0 C--O 1.236 0.378 0 C-N-CA 123.215 2.61 . . . . 0.0 111.658 175.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_exo -61.43 133.07 43.98 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.826 2.351 . . . . 0.0 112.207 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' ALA . . . . . 0.465 ' HA ' ' HD3' ' B' ' 106' ' ' PRO . . . -105.99 128.4 26.47 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.755 -178.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' B' ' 105' ' ' ALA . 7.3 Cg_exo -73.98 131.8 16.05 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 123.168 2.579 . . . . 0.0 112.088 177.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -107.88 150.97 26.4 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.334 -178.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 16.7 m-90 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.666 -0.683 . . . . 0.0 110.287 -179.34 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.679 0 N-CA-C 112.008 -0.437 . . . . 0.0 112.008 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -87.25 66.23 9.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.084 0.469 . . . . 0.0 110.66 176.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 49.9 ttm -151.81 97.99 2.42 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.02 0.438 . . . . 0.0 111.536 -178.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 54.9 p -149.01 -32.77 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.022 173.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -122.18 63.21 0.53 Allowed Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.476 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -96.55 94.48 7.38 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.901 0.381 . . . . 0.0 111.357 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.457 ' HD2' ' CD ' ' A' ' 63' ' ' GLU . 48.6 mttp -69.67 -60.69 2.15 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 170.173 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.486 ' CD2' ' HA ' ' A' ' 11' ' ' HIS . 31.4 t-80 45.52 71.58 0.27 Allowed 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.133 -0.939 . . . . 0.0 113.134 159.61 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.7 m -108.65 -37.05 3.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.219 177.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.9 t -79.98 -7.32 58.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.07 0.462 . . . . 0.0 110.558 177.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.486 ' HA ' ' CD2' ' A' ' 8' ' ' HIS . 74.2 m80 67.95 8.68 6.64 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.509 -174.129 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.795 HG23 HD13 ' A' ' 62' ' ' LEU . 44.0 t 72.27 -35.52 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 123.862 0.865 . . . . 0.0 112.571 176.552 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.422 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . 101.0 13.22 34.52 Favored Glycine 0 N--CA 1.447 -0.609 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 -176.374 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 69.2 t90 -95.77 125.54 40.41 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 120.958 0.409 . . . . 0.0 110.762 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -108.24 133.76 20.43 Favored Pre-proline 0 C--N 1.319 -0.719 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.354 174.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -55.31 -26.68 53.67 Favored 'Trans proline' 0 CA--C 1.529 0.243 0 C-N-CA 123.699 2.933 . . . . 0.0 113.85 -175.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -104.9 -36.26 7.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.755 0.312 . . . . 0.0 111.766 -179.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -99.39 -7.28 26.39 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -172.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.489 ' HA3' ' HA ' ' A' ' 44' ' ' THR . . . 79.94 -156.5 40.17 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.264 178.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.618 ' HB3' HD23 ' A' ' 25' ' ' LEU . 95.6 m-85 -77.54 124.81 28.4 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 178.509 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -65.52 100.7 0.52 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.269 0.557 . . . . 0.0 109.588 178.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.644 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 20.5 m -70.91 -4.8 4.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.953 -172.508 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -78.95 -40.93 30.54 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.025 0.44 . . . . 0.0 109.948 179.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -115.68 32.5 6.04 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.746 -177.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.644 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 29.4 mt -65.99 129.19 38.94 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.064 174.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.424 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 1.1 m-20 -63.59 134.51 95.9 Favored Pre-proline 0 C--N 1.322 -0.614 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 173.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.464 ' O ' ' HB2' ' A' ' 31' ' ' SER . 82.5 Cg_exo -48.1 -31.94 17.53 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 124.178 3.252 . . . . 0.0 113.574 -174.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -72.2 -51.85 19.24 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.956 178.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 96.5 mt -58.47 -45.3 88.92 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.809 0.338 . . . . 0.0 110.535 176.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -60.84 -44.95 96.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.626 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.549 ' HB3' ' HE3' ' A' ' 69' ' ' MET . 1.4 t -60.15 -46.73 88.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.25 178.22 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.454 ' HB2' ' HE1' ' A' ' 69' ' ' MET . 1.3 tm? -66.51 -56.21 11.95 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.825 -175.024 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -58.31 -42.97 87.89 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.423 -175.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 70.7 m -70.6 -19.21 62.87 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.002 177.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 45.3 ttp180 -90.14 -9.27 48.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.467 0.651 . . . . 0.0 109.4 176.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.554 ' O ' ' HG2' ' B' ' 84' ' ' MET . . . -96.76 6.49 48.58 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.94 177.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.0 -7.82 80.09 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.62 176.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.704 HD12 HD11 ' A' ' 52' ' ' ILE . 6.2 mt -75.02 105.96 4.4 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 CA-C-O 120.864 0.364 . . . . 0.0 110.427 179.19 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.6 m -69.03 161.33 29.22 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.187 177.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -52.95 -45.92 67.92 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.95 0.405 . . . . 0.0 110.884 -175.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.06 -46.78 87.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.131 178.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.94 ' HG2' HG23 ' A' ' 48' ' ' THR . 36.6 tt0 -61.35 -33.29 73.39 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.578 0.704 . . . . 0.0 110.224 -179.234 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.489 ' HG ' ' HB2' ' A' ' 20' ' ' PHE . 19.0 tp -68.41 -19.39 64.6 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.711 -179.035 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.489 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 6.8 p -108.38 12.94 25.94 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.869 179.439 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -86.06 146.05 26.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.053 172.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.4 -69.54 0.16 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -169.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -66.2 -39.98 90.04 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 121.152 -0.219 . . . . 0.0 111.37 -173.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.94 HG23 ' HG2' ' A' ' 42' ' ' GLN . 24.7 m -52.1 -58.61 6.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.653 0.263 . . . . 0.0 111.459 177.224 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.507 ' HA ' HD13 ' A' ' 52' ' ' ILE . 79.8 p -64.61 -38.02 89.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.013 0.435 . . . . 0.0 110.998 -176.718 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -61.33 -38.12 85.77 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.09 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.926 HD12 HD11 ' B' ' 92' ' ' ILE . 68.4 mt -80.42 -26.96 38.16 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.274 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.704 HD11 HD12 ' A' ' 38' ' ' ILE . 81.6 mt -62.54 -45.19 99.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.049 0.452 . . . . 0.0 109.918 168.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.459 ' HE1' HG21 ' A' ' 12' ' ' VAL . 26.1 t80 -61.0 -40.9 95.3 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.85 178.581 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -60.27 -46.62 89.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.251 173.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 1.041 ' HE1' ' HG3' ' B' ' 82' ' ' ARG . 55.4 t80 -53.48 -49.42 67.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.261 -0.882 . . . . 0.0 111.532 176.602 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.645 HG23 HD23 ' A' ' 62' ' ' LEU . 99.3 mt -59.5 -40.64 82.4 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.884 0 CA-C-N 115.331 -0.849 . . . . 0.0 111.697 -175.21 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -67.08 -38.05 85.05 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 178.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -55.79 -39.85 71.84 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.277 0.56 . . . . 0.0 110.484 177.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.491 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 12.2 mm100 -80.16 -18.24 50.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.333 -176.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.11 4.38 12.44 Favored Glycine 0 CA--C 1.52 0.387 0 C-N-CA 120.719 -0.753 . . . . 0.0 113.357 179.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 111.47 178.28 20.24 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.285 179.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.795 HD13 HG23 ' A' ' 12' ' ' VAL . 80.3 mt -59.13 -41.21 87.69 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.234 0.54 . . . . 0.0 110.863 -176.586 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.459 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 32.3 mp0 -64.02 -29.23 70.4 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.554 -176.255 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.54 -47.11 43.41 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.381 -177.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.77 ' HB ' HG11 ' B' ' 79' ' ' VAL . 1.5 m -66.95 -25.89 35.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-O 121.113 0.482 . . . . 0.0 110.267 -176.33 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -62.27 -36.73 82.99 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.099 173.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.459 ' HG3' ' O ' ' A' ' 63' ' ' GLU . 87.0 mt-30 -74.75 -41.0 60.92 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.915 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.881 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 1.9 mm-40 -57.07 -28.12 62.31 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.576 -175.262 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.549 ' HE3' ' HB3' ' A' ' 31' ' ' SER . 31.7 mtt -54.39 -36.34 63.81 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.228 0.537 . . . . 0.0 110.905 175.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 -122.22 27.36 8.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.218 178.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.881 ' HB3' ' HA ' ' A' ' 68' ' ' GLU . 6.6 ttt180 -120.65 -58.72 1.81 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.681 -178.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.661 ' HB2' ' HA ' ' B' ' 78' ' ' ASP . 75.5 mt-30 . . . . . 0 C--O 1.25 1.118 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.8 174.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.715 0 N-CA-C 111.741 -0.544 . . . . 0.0 111.741 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 61.54 44.47 9.16 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.41 0.624 . . . . 0.0 110.059 175.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' MET . . . . . . . . . . . . . 26.1 ptt? -60.84 -30.82 70.33 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.903 178.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . 0.737 ' H ' ' HG3' ' B' ' 81' ' ' GLN . 8.2 tp -93.22 134.36 27.15 Favored Pre-proline 0 C--N 1.316 -0.875 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 172.49 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' PRO . . . . . 0.58 ' O ' ' HB3' ' A' ' 72' ' ' GLN . 73.2 Cg_endo -73.71 -28.26 11.83 Favored 'Trans proline' 0 N--CA 1.462 -0.351 0 C-N-CA 122.628 2.219 . . . . 0.0 114.288 -163.468 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' ASP . . . . . 0.661 ' HA ' ' HB2' ' A' ' 72' ' ' GLN . 7.1 p-10 -102.68 -166.92 1.33 Allowed 'General case' 0 C--N 1.312 -1.043 0 CA-C-O 121.445 0.64 . . . . 0.0 112.578 -169.407 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . 0.77 HG11 ' HB ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -44.95 -36.12 1.42 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.333 0 CA-C-N 114.426 -1.261 . . . . 0.0 112.416 175.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.601 ' HB3' HD23 ' B' ' 76' ' ' LEU . . . -47.92 -62.35 1.51 Allowed 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 -175.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' GLN . . . . . 0.737 ' HG3' ' H ' ' B' ' 76' ' ' LEU . 0.0 OUTLIER -72.1 -33.69 68.05 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 121.886 -0.509 . . . . 0.0 110.889 -179.31 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . 1.041 ' HG3' ' HE1' ' A' ' 55' ' ' PHE . 18.7 tpt180 -58.32 -33.39 69.45 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.581 0.705 . . . . 0.0 110.119 177.433 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . 0.616 HD21 HD11 ' A' ' 38' ' ' ILE . 32.0 tp -82.5 -44.37 16.05 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.049 179.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' MET . . . . . 0.58 ' HG3' ' O ' ' B' ' 80' ' ' ALA . 67.6 mtt -46.88 -53.6 11.79 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 121.257 0.551 . . . . 0.0 111.241 -179.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -71.87 -26.91 62.54 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.829 -175.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . 0.412 ' HA ' ' HG2' ' B' ' 89' ' ' GLU . 74.1 t60 -68.9 -18.12 64.07 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.326 -178.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.868 HD12 HG13 ' B' ' 92' ' ' ILE . 1.7 mm? -84.29 -46.5 11.73 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.218 0.532 . . . . 0.0 109.868 171.38 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.07 -16.83 63.19 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.512 -0.767 . . . . 0.0 112.326 -174.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.615 ' HG3' ' CD2' ' B' ' 90' ' ' HIS . 8.2 pt-20 -78.42 -5.87 53.63 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.666 0.247 . . . . 0.0 111.666 179.175 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . 0.615 ' CD2' ' HG3' ' B' ' 89' ' ' GLU . 90.3 m-70 -117.13 -73.48 0.64 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -177.149 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 161.18 66.12 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 -173.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . 0.926 HD11 HD12 ' A' ' 51' ' ' LEU . 19.6 mm -107.89 142.15 21.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.195 -0.503 . . . . 0.0 111.654 -173.357 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -95.63 127.93 39.82 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.491 176.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 94' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -66.29 167.72 17.79 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.955 2.436 . . . . 0.0 111.455 172.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . 0.445 ' HB1' ' HB2' ' A' ' 42' ' ' GLN . . . -70.09 81.74 0.5 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.329 0.585 . . . . 0.0 110.786 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 2.5 tpm_? -64.34 112.49 3.1 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.287 -0.869 . . . . 0.0 111.342 -177.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 15.8 p30 -77.42 45.46 0.47 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.242 177.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 98' ' ' MET . . . . . . . . . . . . . 58.5 ttp -150.96 -46.47 0.12 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.717 0.77 . . . . 0.0 109.008 -179.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -95.85 55.65 1.63 Allowed 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 114.763 -1.108 . . . . 0.0 109.15 172.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -71.36 114.13 9.11 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.212 -173.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 7.4 p80 -81.22 102.09 10.12 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.321 172.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 41.3 pt -77.05 136.98 65.61 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.776 -173.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -72.77 145.35 40.85 Favored 'Trans proline' 0 N--CA 1.459 -0.523 0 C-N-CA 122.704 2.269 . . . . 0.0 110.655 171.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -55.25 114.33 1.82 Allowed 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.619 2.213 . . . . 0.0 112.145 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -75.07 125.64 88.99 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.71 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -88.87 123.86 1.47 Allowed 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 122.886 2.391 . . . . 0.0 112.173 178.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -75.38 104.25 5.87 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.263 177.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 70.1 t-105 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.413 -0.803 . . . . 0.0 109.74 -177.944 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.916 0 N-CA-C 112.12 -0.392 . . . . 0.0 112.12 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 24.3 m80 -96.49 -55.77 2.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.885 0.374 . . . . 0.0 110.91 177.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.3 mmt -100.95 143.49 31.03 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.202 0.525 . . . . 0.0 111.662 -174.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.9 t -138.36 81.48 1.86 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.489 -0.778 . . . . 0.0 108.967 173.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -105.43 -174.41 24.11 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.318 -177.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -100.91 97.22 7.84 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.089 0.471 . . . . 0.0 110.373 -178.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -89.12 61.7 5.92 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.653 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.609 ' H ' HD11 ' A' ' 62' ' ' LEU . 30.2 p-80 41.94 59.84 2.43 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.078 -178.544 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.5 m -85.92 14.65 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 O-C-N 122.051 -0.406 . . . . 0.0 110.612 -176.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.751 ' HA ' ' OH ' ' A' ' 53' ' ' TYR . 51.8 p 64.81 -42.03 0.3 Allowed 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.196 1.399 . . . . 0.0 111.556 -173.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 22.6 t-80 -83.71 55.5 3.26 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 171.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.526 HG11 HD22 ' A' ' 62' ' ' LEU . 17.4 t -70.55 61.51 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-N 114.65 -1.159 . . . . 0.0 111.898 -176.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 64.0 10.78 41.64 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 121.047 -0.597 . . . . 0.0 112.055 -178.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.428 ' CZ2' ' HA ' ' A' ' 16' ' ' PRO . 70.4 t90 -102.89 132.56 49.02 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.876 0.369 . . . . 0.0 111.087 -177.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.667 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . 1.6 t70 -112.48 135.29 21.47 Favored Pre-proline 0 C--N 1.324 -0.536 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 174.334 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.428 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 84.2 Cg_exo -45.27 -57.74 1.96 Allowed 'Trans proline' 0 CA--C 1.533 0.452 0 C-N-CA 123.853 3.035 . . . . 0.0 114.326 -172.484 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -92.49 -24.01 18.93 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.625 -174.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.667 ' HB3' ' HB3' ' A' ' 15' ' ' ASP . 54.2 t30 -89.93 -31.84 17.09 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.527 -172.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.55 -164.03 18.84 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.989 -0.624 . . . . 0.0 111.891 -179.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.525 ' HB3' HD21 ' A' ' 25' ' ' LEU . 35.5 m-85 -75.68 134.22 40.61 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 177.215 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.404 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 11.8 t0 -78.18 113.92 16.59 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 175.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.612 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 4.5 m -69.43 -9.74 12.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.771 -177.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -82.46 -46.67 13.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.281 174.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -102.65 42.09 1.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.279 178.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.612 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 15.3 mt -76.0 125.13 28.54 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.309 174.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.562 ' HB3' HD21 ' A' ' 29' ' ' LEU . 7.3 t70 -55.68 132.6 72.01 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.875 175.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 26' ' ' ASP . 73.5 Cg_exo -49.47 -34.31 32.85 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 124.074 3.183 . . . . 0.0 113.978 -175.709 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -86.36 -39.59 16.28 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 -177.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.763 HD13 HD21 ' A' ' 62' ' ' LEU . 7.9 mp -53.72 -49.39 68.22 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 120.919 0.39 . . . . 0.0 110.689 169.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -53.32 -43.78 67.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.125 179.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.428 ' HB3' ' HE2' ' A' ' 69' ' ' MET . 8.8 t -64.23 -49.87 70.24 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.449 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.1 tp -63.86 -51.52 64.23 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.134 -175.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.553 ' HB3' ' HB ' ' A' ' 38' ' ' ILE . 14.3 m-30 -61.05 -30.71 70.49 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.304 -173.478 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.3 t -63.16 -42.22 99.39 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 121.095 0.474 . . . . 0.0 110.031 175.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 47.9 mtt180 -65.8 -39.56 91.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.925 176.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.403 ' HA ' ' HE2' ' B' ' 84' ' ' MET . . . -76.47 -10.56 59.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.254 -0.884 . . . . 0.0 111.669 -175.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.91 -10.9 66.2 Favored Glycine 0 C--N 1.33 0.241 0 C-N-CA 121.048 -0.596 . . . . 0.0 112.513 176.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.947 HD12 HD11 ' A' ' 52' ' ' ILE . 6.9 mt -66.53 106.76 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 120.864 0.364 . . . . 0.0 110.972 -178.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.9 m -91.49 178.68 5.88 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.95 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.468 ' HG3' HG11 ' A' ' 22' ' ' VAL . 33.8 tt0 -46.41 -53.48 10.95 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 123.432 0.458 . . . . 0.0 111.917 -179.018 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.492 ' HB1' ' HB2' ' B' ' 95' ' ' ALA . . . -60.71 -40.73 93.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.116 -177.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 1.038 ' HG2' HG23 ' A' ' 48' ' ' THR . 33.8 tt0 -72.14 -32.53 67.0 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.916 0.389 . . . . 0.0 110.491 -176.147 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.642 ' HG ' HG22 ' A' ' 38' ' ' ILE . 34.5 mt -71.34 -24.93 62.2 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.544 174.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.1 p -100.39 19.32 16.93 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.739 0.78 . . . . 0.0 110.136 179.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.612 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 29.8 t70 -86.31 155.09 20.79 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.898 173.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.31 -60.27 2.32 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -176.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -78.94 -37.21 40.25 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.427 -173.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 1.038 HG23 ' HG2' ' A' ' 42' ' ' GLN . 35.0 m -55.58 -58.96 5.62 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.715 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 82.1 p -60.82 -42.42 97.65 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.847 0.356 . . . . 0.0 111.589 -174.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.12 -37.93 78.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.682 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 1.019 HD11 HD12 ' B' ' 92' ' ' ILE . 93.8 mt -88.64 -21.57 23.9 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.798 -178.112 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.947 HD11 HD12 ' A' ' 38' ' ' ILE . 60.7 mt -62.87 -47.28 93.58 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.324 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 167.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.751 ' OH ' ' HA ' ' A' ' 10' ' ' SER . 59.3 t80 -66.89 -35.98 81.24 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.935 177.128 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.585 ' HB3' ' HA ' ' A' ' 51' ' ' LEU . 30.9 t70 -59.64 -32.97 70.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.488 0.661 . . . . 0.0 109.988 174.499 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.706 ' HE1' ' HG2' ' B' ' 82' ' ' ARG . 26.2 t80 -69.48 -44.95 70.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.723 175.548 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.626 HG22 HD23 ' A' ' 62' ' ' LEU . 98.8 mt -63.34 -41.62 93.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.144 178.395 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -63.9 -41.02 97.81 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.889 174.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.482 ' HB3' ' O ' ' A' ' 55' ' ' PHE . 30.1 t70 -51.55 -37.1 47.97 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.852 173.688 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.589 HE22 ' NE ' ' B' ' 82' ' ' ARG . 71.7 mm-40 -72.39 -27.67 62.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.305 0.574 . . . . 0.0 110.606 176.698 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.73 -5.25 12.83 Favored Glycine 0 N--CA 1.446 -0.648 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.627 -176.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 131.89 -175.71 19.61 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.312 178.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.763 HD21 HD13 ' A' ' 29' ' ' LEU . 82.7 mt -60.07 -46.14 90.57 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 122.612 0.365 . . . . 0.0 111.727 -175.139 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.17 -31.98 70.63 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.631 -178.268 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.13 -40.53 78.23 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.932 0.396 . . . . 0.0 110.472 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.561 HG11 HG13 ' B' ' 79' ' ' VAL . 81.4 t -62.71 -37.37 78.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.437 0.637 . . . . 0.0 110.341 177.2 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 43.2 mtt85 -63.37 -28.38 69.95 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.906 177.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -80.0 -37.87 33.28 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.53 176.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.732 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 5.4 mm-40 -55.32 -39.22 69.7 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 120.816 0.341 . . . . 0.0 111.626 175.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.428 ' HE2' ' HB3' ' A' ' 31' ' ' SER . 38.7 mtt -52.68 -24.46 8.6 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.338 174.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.2 mtp180 -116.03 2.87 13.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.634 178.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.732 ' HB3' ' HA ' ' A' ' 68' ' ' GLU . 62.7 ttt-85 -104.78 -104.74 0.31 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.324 -174.398 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.561 ' HB2' ' O ' ' A' ' 71' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.246 0.876 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 -176.352 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.718 0 N-CA-C 111.585 -0.606 . . . . 0.0 111.585 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . 0.468 ' HA ' ' SD ' ' B' ' 84' ' ' MET . 44.9 t-80 -83.03 73.35 10.05 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.243 0.544 . . . . 0.0 110.861 -179.13 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' MET . . . . . . . . . . . . . 44.8 ttm -155.98 72.4 0.77 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.902 176.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . 0.593 ' HG ' ' HB3' ' B' ' 80' ' ' ALA . 3.5 mm? -120.74 151.03 53.89 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.049 -179.393 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' PRO . . . . . 0.514 ' O ' ' HA ' ' A' ' 72' ' ' GLN . 56.2 Cg_endo -94.46 32.21 0.21 Allowed 'Trans proline' 0 N--CA 1.456 -0.711 0 C-N-CA 123.01 2.474 . . . . 0.0 112.585 179.063 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -164.31 -166.85 1.18 Allowed 'General case' 0 C--O 1.238 0.449 0 CA-C-O 120.803 0.335 . . . . 0.0 111.706 -176.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . 0.652 HG12 ' CZ ' ' A' ' 55' ' ' PHE . 0.0 OUTLIER -35.11 -41.72 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 124.616 1.167 . . . . 0.0 114.065 175.433 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.593 ' HB3' ' HG ' ' B' ' 76' ' ' LEU . . . -53.76 -51.77 62.32 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -171.31 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' GLN . . . . . 0.403 ' HB3' ' H ' ' B' ' 76' ' ' LEU . 14.6 pt20 -69.85 -27.99 65.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.733 0.778 . . . . 0.0 109.645 -178.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . 0.706 ' HG2' ' HE1' ' A' ' 55' ' ' PHE . 66.8 ttt180 -76.75 -17.19 59.21 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 114.672 -1.149 . . . . 0.0 109.744 -176.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . 0.746 HD11 HD11 ' A' ' 38' ' ' ILE . 0.5 OUTLIER -79.78 -43.46 22.44 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.225 -179.682 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' MET . . . . . 0.468 ' SD ' ' HA ' ' B' ' 74' ' ' HIS . 47.9 mtt -59.55 -42.13 91.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.019 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . 0.593 ' O ' ' HG2' ' B' ' 89' ' ' GLU . 15.9 mm100 -62.72 -51.85 65.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.895 177.282 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . 0.493 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 58.1 t60 -59.27 -32.42 70.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.29 -175.264 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.743 HD22 HG12 ' B' ' 92' ' ' ILE . 88.9 mt -80.5 -47.47 14.22 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.943 0.401 . . . . 0.0 110.756 178.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.24 -31.88 65.99 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.121 -179.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.593 ' HG2' ' O ' ' B' ' 85' ' ' GLN . 19.9 mm-40 -60.3 -26.94 66.91 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 179.012 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -102.42 -33.37 9.57 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.764 -0.374 . . . . 0.0 111.558 -176.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 117.78 25.52 3.06 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.334 -0.936 . . . . 0.0 112.908 178.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . 1.019 HD12 HD11 ' A' ' 51' ' ' LEU . 1.6 mp -49.36 141.13 2.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 121.166 0.508 . . . . 0.0 111.666 176.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . 0.475 ' HB3' ' HB3' ' B' ' 97' ' ' ASN . 31.3 mm-40 -102.94 122.75 44.53 Favored Pre-proline 0 N--CA 1.445 -0.676 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.944 178.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 94' ' ' PRO . . . . . 0.414 ' C ' ' H ' ' B' ' 96' ' ' ARG . 45.6 Cg_exo -57.95 172.26 1.28 Allowed 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 123.037 2.491 . . . . 0.0 112.234 178.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . 0.589 ' HB1' ' HB2' ' A' ' 42' ' ' GLN . . . -69.72 28.65 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -168.005 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . 0.414 ' H ' ' C ' ' B' ' 94' ' ' PRO . 26.4 mmt180 -139.11 39.11 2.12 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.108 0.48 . . . . 0.0 110.245 176.35 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 97' ' ' ASN . . . . . 0.475 ' HB3' ' HB3' ' B' ' 93' ' ' GLN . 24.1 p-10 -100.45 132.23 45.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.37 0.605 . . . . 0.0 111.093 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 98' ' ' MET . . . . . . . . . . . . . 24.9 ptt? -100.0 19.77 15.65 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.567 -178.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.83 -21.24 66.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.034 179.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . 0.402 ' O ' ' HB2' ' B' ' 101' ' ' HIS . 23.7 tt0 -173.37 -130.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 -179.311 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' HIS . . . . . 0.413 ' HE1' ' O ' ' A' ' 41' ' ' ALA . 30.5 m-70 73.87 144.51 0.07 Allowed 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.125 0.57 . . . . 0.0 112.124 174.313 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' ILE . . . . . 0.42 ' HA ' ' HD3' ' B' ' 103' ' ' PRO . 56.6 mt -92.26 116.42 66.45 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.564 -0.743 . . . . 0.0 111.215 -176.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' B' ' 102' ' ' ILE . 5.9 Cg_exo -75.16 153.79 41.28 Favored 'Trans proline' 0 N--CA 1.463 -0.289 0 C-N-CA 123.32 2.68 . . . . 0.0 111.439 175.239 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -55.7 113.98 1.68 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.818 2.345 . . . . 0.0 111.994 178.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.12 126.04 82.49 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.053 -177.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' PRO . . . . . 0.496 ' HA ' ' CZ3' ' B' ' 108' ' ' TRP . 74.6 Cg_endo -78.57 66.98 8.49 Favored 'Trans proline' 0 N--CA 1.463 -0.271 0 C-N-CA 122.907 2.405 . . . . 0.0 112.959 -176.506 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -115.33 54.92 0.78 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.145 0.497 . . . . 0.0 110.249 178.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' TRP . . . . . 0.496 ' CZ3' ' HA ' ' B' ' 106' ' ' PRO . 6.5 m-90 . . . . . 0 C--O 1.247 0.959 0 CA-C-O 118.576 -0.726 . . . . 0.0 109.877 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.685 0 N-CA-C 111.758 -0.537 . . . . 0.0 111.758 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 16.4 m80 -131.56 51.24 2.16 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.832 0.349 . . . . 0.0 110.899 177.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.743 ' HG3' ' HE2' ' A' ' 6' ' ' PHE . 1.5 mpt? 59.11 50.62 7.88 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.157 174.394 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.5 m -105.34 -28.61 10.79 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.343 -175.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -131.02 63.68 0.63 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.345 -0.931 . . . . 0.0 112.953 -176.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.743 ' HE2' ' HG3' ' A' ' 3' ' ' MET . 9.0 m-85 -106.89 69.32 0.76 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.156 0.503 . . . . 0.0 111.697 179.385 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -72.44 -35.09 68.22 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 171.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -127.88 146.06 50.75 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.016 -0.993 . . . . 0.0 108.891 173.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.48 ' C ' ' H ' ' A' ' 11' ' ' HIS . 8.4 p -164.28 18.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 122.127 0.965 . . . . 0.0 108.878 -172.683 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.3 m -77.16 21.68 0.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.744 -1.116 . . . . 0.0 110.961 -176.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.48 ' H ' ' C ' ' A' ' 9' ' ' VAL . 52.3 m80 58.37 13.94 2.68 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.892 -176.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.635 HG13 HD13 ' A' ' 62' ' ' LEU . 20.9 m 43.88 25.1 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 124.613 1.165 . . . . 0.0 114.065 179.542 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 67.6 25.21 73.97 Favored Glycine 0 C--N 1.333 0.401 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.465 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 76.6 t90 -92.42 134.16 35.2 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.241 0.544 . . . . 0.0 111.116 -177.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -113.89 135.12 22.02 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 174.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_endo -57.1 -25.0 61.37 Favored 'Trans proline' 0 N--CA 1.474 0.378 0 C-N-CA 123.516 2.81 . . . . 0.0 113.99 -175.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -104.46 -49.26 3.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.886 0.374 . . . . 0.0 111.504 -178.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.559 ' O ' ' HA ' ' A' ' 44' ' ' THR . 9.2 m120 -88.77 -5.92 57.75 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -173.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 78.88 -146.01 29.19 Favored Glycine 0 N--CA 1.443 -0.883 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.908 175.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.643 ' HB3' HD22 ' A' ' 25' ' ' LEU . 93.1 m-85 -80.86 125.3 29.94 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 -178.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -67.44 102.48 1.13 Allowed 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 176.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.591 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 16.9 m -63.55 -27.78 43.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -171.324 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -91.31 -5.55 54.47 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.77 -179.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -120.41 21.78 11.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.106 174.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.643 HD22 ' HB3' ' A' ' 20' ' ' PHE . 16.0 mt -70.03 138.8 52.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.594 -178.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.434 ' HB3' ' HG ' ' A' ' 29' ' ' LEU . 5.7 t70 -63.82 139.22 97.59 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.668 172.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -42.2 -49.88 5.73 Favored 'Trans proline' 0 C--O 1.237 0.43 0 C-N-CA 123.156 2.571 . . . . 0.0 113.621 -177.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -68.76 -39.63 80.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.701 -0.227 . . . . 0.0 110.562 -178.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.434 ' HG ' ' HB3' ' A' ' 26' ' ' ASP . 85.8 mt -62.49 -45.22 93.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.894 0.378 . . . . 0.0 110.164 177.179 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.1 tpt180 -57.26 -39.65 76.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.238 178.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.552 ' HB3' ' HE2' ' A' ' 69' ' ' MET . 1.9 t -73.51 -48.18 35.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.517 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 47.0 tp -60.71 -56.98 14.77 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 112.751 0.648 . . . . 0.0 112.751 -173.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.434 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 13.7 m-30 -59.62 -34.47 72.81 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.334 -171.318 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.7 m -64.5 -41.93 96.14 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.92 174.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 33.8 mtp85 -64.8 -39.36 93.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.016 177.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.39 -13.81 62.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.854 -176.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.59 -15.07 58.9 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.63 -0.795 . . . . 0.0 111.602 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.711 HD12 HD11 ' A' ' 52' ' ' ILE . 12.4 mt -64.63 106.68 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 CA-C-O 120.989 0.423 . . . . 0.0 110.179 177.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.1 m -78.03 169.86 17.57 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.321 178.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -64.71 -26.44 68.37 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.849 0.357 . . . . 0.0 111.161 -175.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.62 -44.64 89.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.58 0.705 . . . . 0.0 110.023 172.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.553 ' HB3' HG23 ' A' ' 48' ' ' THR . 53.6 mt-30 -68.73 -27.92 66.36 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.762 178.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 51.5 mt -76.56 -13.98 60.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.918 176.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.559 ' HA ' ' O ' ' A' ' 18' ' ' ASN . 7.1 p -108.19 18.55 20.98 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.689 0.757 . . . . 0.0 109.674 173.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.579 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 27.0 t70 -90.58 157.09 17.69 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 114.796 -1.093 . . . . 0.0 110.346 175.145 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.28 -68.99 0.53 Allowed 'General case' 0 C--O 1.237 0.436 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 -177.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -67.15 -38.9 86.3 Favored 'General case' 0 CA--C 1.519 -0.247 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.395 -175.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.661 ' O ' HG13 ' A' ' 52' ' ' ILE . 25.7 m -56.27 -60.27 3.75 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.178 -0.209 . . . . 0.0 111.325 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.2 m -62.56 -39.57 94.07 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -175.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -61.56 -39.57 91.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.088 0.47 . . . . 0.0 110.324 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.562 ' HA ' ' HB3' ' A' ' 54' ' ' ASP . 36.6 mt -83.41 -19.91 35.14 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.844 -177.235 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.711 HD11 HD12 ' A' ' 38' ' ' ILE . 61.4 mt -66.11 -42.5 91.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 166.353 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -65.21 -39.91 93.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.401 0.619 . . . . 0.0 109.525 176.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.562 ' HB3' ' HA ' ' A' ' 51' ' ' LEU . 18.9 t70 -61.85 -35.7 79.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.74 173.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.58 ' HE1' ' HG3' ' B' ' 82' ' ' ARG . 33.6 t80 -63.94 -46.19 85.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.003 176.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.59 HG22 HD11 ' A' ' 62' ' ' LEU . 98.5 mt -61.15 -43.95 97.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.353 179.026 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -60.53 -44.4 96.12 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.758 172.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -54.81 -37.17 65.78 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.605 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 67.0 mm-40 -76.77 -17.72 58.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.624 179.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.12 3.62 13.01 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.491 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 122.89 -175.05 16.51 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.3 177.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.635 HD13 HG13 ' A' ' 12' ' ' VAL . 4.0 mm? -64.23 -38.58 91.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.962 0.41 . . . . 0.0 111.662 -175.193 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.539 ' O ' ' HG2' ' A' ' 67' ' ' GLN . 28.5 mm-40 -65.7 -35.01 79.55 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.412 -174.283 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.74 -39.31 93.41 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.319 0.581 . . . . 0.0 110.221 178.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.57 HG11 HG12 ' B' ' 79' ' ' VAL . 76.2 t -65.35 -44.47 94.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.305 -0.862 . . . . 0.0 110.507 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.429 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 91.0 mtt-85 -61.62 -30.9 71.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.838 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.539 ' HG2' ' O ' ' A' ' 63' ' ' GLU . 79.7 mm-40 -79.29 -43.59 23.34 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.168 -177.213 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.444 ' HB2' HG23 ' B' ' 79' ' ' VAL . 8.7 mt-10 -50.19 -36.41 30.43 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 123.022 0.202 . . . . 0.0 111.344 -179.407 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.552 ' HE2' ' HB3' ' A' ' 31' ' ' SER . 32.1 mtt -52.37 -40.65 62.28 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.682 179.381 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -108.63 7.06 26.41 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.258 -176.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.442 ' HB3' ' HA ' ' A' ' 68' ' ' GLU . 9.0 tmm_? -114.05 -52.63 2.72 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -171.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.401 ' HB3' ' O ' ' A' ' 71' ' ' ARG . 32.5 tt0 . . . . . 0 C--O 1.246 0.903 0 O-C-N 124.235 0.96 . . . . 0.0 109.867 -173.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.732 0 N-CA-C 111.85 -0.5 . . . . 0.0 111.85 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -135.05 133.97 39.9 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.791 0.329 . . . . 0.0 110.267 -179.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' MET . . . . . . . . . . . . . 48.5 ttm -155.59 76.09 0.94 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.223 0.535 . . . . 0.0 109.893 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . 0.802 ' HB2' ' HB3' ' B' ' 81' ' ' GLN . 78.8 mt -123.14 138.45 29.87 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.085 -179.429 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -81.41 34.47 0.55 Allowed 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 122.746 2.297 . . . . 0.0 113.295 -171.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -165.33 -168.66 1.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.146 0.498 . . . . 0.0 111.929 -177.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . 0.57 HG12 HG11 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -44.92 -37.67 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 114.475 -1.238 . . . . 0.0 112.693 174.455 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -49.97 -49.95 48.54 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -170.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' GLN . . . . . 0.802 ' HB3' ' HB2' ' B' ' 76' ' ' LEU . 20.0 pt20 -72.0 -33.23 67.93 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 121.342 0.592 . . . . 0.0 110.172 -177.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . 0.58 ' HG3' ' HE1' ' A' ' 55' ' ' PHE . 8.5 tpt180 -69.47 -21.08 63.73 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.086 -178.109 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . 0.503 ' HG ' ' CE2' ' A' ' 55' ' ' PHE . 1.7 mt -74.35 -43.35 56.98 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.171 179.46 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 55.2 mtt -51.43 -45.07 62.51 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.531 -179.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -71.18 -39.54 71.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.31 -178.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . 0.483 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 39.8 t60 -66.58 -32.34 73.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 -174.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.434 HD23 ' O ' ' B' ' 83' ' ' LEU . 0.3 OUTLIER -78.54 -39.29 38.3 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.926 0.394 . . . . 0.0 110.367 174.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.65 -34.26 69.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.632 -178.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -61.2 -23.3 65.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.541 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -117.35 8.25 13.05 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -173.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 70.46 30.79 68.69 Favored Glycine 0 CA--C 1.521 0.446 0 C-N-CA 120.646 -0.788 . . . . 0.0 113.663 175.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . 0.548 HD12 HD12 ' A' ' 51' ' ' LEU . 1.5 mp -48.07 149.32 0.54 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 123.404 0.682 . . . . 0.0 112.203 174.565 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . 0.477 ' HB3' ' HB3' ' B' ' 97' ' ' ASN . 1.6 mp0 -85.1 129.93 54.1 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.858 178.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 94' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 93' ' ' GLN . 24.0 Cg_exo -64.86 174.46 4.64 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 123.476 2.784 . . . . 0.0 111.236 173.01 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.25 66.66 0.3 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.43 0.633 . . . . 0.0 112.248 -177.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -157.24 12.15 0.23 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.898 -1.046 . . . . 0.0 108.52 175.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 97' ' ' ASN . . . . . 0.477 ' HB3' ' HB3' ' B' ' 93' ' ' GLN . 11.9 p-10 -83.13 69.9 9.97 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.311 -1.313 . . . . 0.0 111.099 -175.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 98' ' ' MET . . . . . . . . . . . . . 26.4 ptm 43.91 85.64 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 121.714 0.768 . . . . 0.0 111.275 -176.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.14 -18.74 49.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.128 -0.942 . . . . 0.0 113.02 -171.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -52.31 -65.87 0.48 Allowed 'General case' 0 N--CA 1.464 0.245 0 O-C-N 123.168 0.293 . . . . 0.0 110.885 178.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 52.5 m170 52.73 52.73 13.41 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 177.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 14.2 tt -109.47 135.14 20.34 Favored Pre-proline 0 C--N 1.319 -0.742 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 173.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' PRO . . . . . 0.425 ' HA ' ' HD2' ' B' ' 104' ' ' PRO . 10.5 Cg_endo -54.25 120.8 8.58 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.917 2.411 . . . . 0.0 111.782 -179.191 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' B' ' 103' ' ' PRO . 10.2 Cg_endo -51.12 113.18 0.99 Allowed 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 123.302 2.668 . . . . 0.0 112.059 -176.531 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -84.71 132.96 44.87 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.28 -179.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -65.02 -19.14 63.61 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 123.003 2.469 . . . . 0.0 111.566 177.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 73.43 -7.66 1.5 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.592 172.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 61.7 t90 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.878 -0.582 . . . . 0.0 109.834 -178.231 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.782 0 N-CA-C 112.198 -0.361 . . . . 0.0 112.198 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -88.0 63.2 7.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.064 0.459 . . . . 0.0 110.918 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.49 ' HE1' ' HD3' ' A' ' 7' ' ' LYS . 93.8 mmm -90.79 70.6 6.59 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.363 0.601 . . . . 0.0 110.017 178.15 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.5 p -88.17 88.72 7.73 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.708 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 129.51 -174.15 19.42 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.853 176.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -83.84 146.93 27.84 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.801 0.334 . . . . 0.0 110.713 178.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.49 ' HD3' ' HE1' ' A' ' 3' ' ' MET . 46.4 tptt -82.49 90.0 6.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 112.062 -171.149 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.417 ' HB2' ' OE2' ' A' ' 63' ' ' GLU . 17.4 t-80 20.57 91.82 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.71 0 O-C-N 125.243 1.59 . . . . 0.0 114.849 166.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.9 p -163.77 -22.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.447 0.642 . . . . 0.0 109.849 174.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.1 -30.78 62.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.809 -1.087 . . . . 0.0 113.301 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.404 ' O ' HG21 ' A' ' 12' ' ' VAL . 97.5 m-70 61.66 26.84 16.41 Favored 'General case' 0 N--CA 1.462 0.151 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -167.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.713 HG11 HD22 ' A' ' 62' ' ' LEU . 13.9 m 50.27 19.02 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 125.1 1.36 . . . . 0.0 114.093 177.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 65.58 23.7 70.62 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.481 -0.866 . . . . 0.0 111.788 -177.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.415 ' CD1' ' HA2' ' A' ' 19' ' ' GLY . 59.4 t90 -79.78 130.8 35.63 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.104 0.478 . . . . 0.0 110.782 -177.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -102.49 133.62 20.41 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.721 174.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -47.15 -32.08 13.13 Favored 'Trans proline' 0 CA--C 1.529 0.257 0 C-N-CA 124.293 3.329 . . . . 0.0 114.277 -177.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -105.18 -48.7 3.64 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -176.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.558 ' O ' ' HA ' ' A' ' 44' ' ' THR . 9.3 m120 -96.69 -1.3 46.87 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -173.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.415 ' HA2' ' CD1' ' A' ' 14' ' ' TRP . . . 72.52 -133.31 19.39 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.856 -0.687 . . . . 0.0 114.107 172.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.503 ' HB2' ' HB3' ' A' ' 43' ' ' LEU . 93.7 m-85 -83.42 144.85 29.33 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.128 0.49 . . . . 0.0 111.559 -172.564 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.448 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 18.2 t70 -81.68 111.64 18.13 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.147 173.293 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.645 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 29.7 m -88.24 -14.48 9.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -169.373 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -87.8 -19.96 26.78 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.433 -0.507 . . . . 0.0 109.914 176.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -126.22 52.56 1.7 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.371 0.605 . . . . 0.0 110.233 174.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.645 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 9.8 mt -80.23 135.19 36.2 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.866 178.408 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.564 ' HB3' HD12 ' A' ' 29' ' ' LEU . 1.8 t70 -58.9 132.79 86.86 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.713 177.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo -43.21 -52.72 4.68 Favored 'Trans proline' 0 C--O 1.238 0.486 0 C-N-CA 123.25 2.633 . . . . 0.0 113.757 -175.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -69.17 -43.52 74.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.616 -176.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.564 HD12 ' HB3' ' A' ' 26' ' ' ASP . 92.5 mt -61.0 -41.8 97.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.792 0.33 . . . . 0.0 110.574 177.278 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -59.13 -43.97 92.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.43 178.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.504 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 5.2 t -62.37 -49.38 75.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.75 177.534 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.463 HD11 HG22 ' B' ' 79' ' ' VAL . 14.3 tp -58.87 -61.07 2.9 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.164 -0.926 . . . . 0.0 112.305 -176.256 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.448 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 11.6 m-30 -60.3 -33.09 71.87 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.846 -171.272 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.9 t -65.63 -42.23 91.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.754 176.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.504 ' HG3' ' O ' ' A' ' 31' ' ' SER . 84.0 mtt180 -64.15 -33.22 75.29 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.424 0.63 . . . . 0.0 110.04 177.56 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.87 -7.87 56.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.007 -0.997 . . . . 0.0 112.263 -173.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.18 2.46 83.3 Favored Glycine 0 CA--C 1.511 -0.177 0 C-N-CA 120.422 -0.894 . . . . 0.0 112.158 178.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.778 HD11 HD11 ' B' ' 83' ' ' LEU . 19.2 mt -71.17 108.82 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.656 0 CA-C-O 120.893 0.377 . . . . 0.0 110.319 176.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.9 t -62.31 155.35 25.2 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.224 177.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -57.24 -32.89 67.01 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 176.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.635 ' HA ' ' ND1' ' B' ' 101' ' ' HIS . . . -68.33 -18.74 64.57 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 121.406 0.622 . . . . 0.0 111.12 179.005 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.622 ' HB3' HG23 ' A' ' 48' ' ' THR . 52.3 mt-30 -88.92 -25.72 21.94 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.225 -177.196 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.503 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . 98.2 mt -77.41 -7.01 55.45 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.407 174.243 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.558 ' HA ' ' O ' ' A' ' 18' ' ' ASN . 25.6 p -110.45 1.95 18.61 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.417 173.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.57 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 28.7 t70 -77.16 153.27 34.34 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.097 176.474 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.7 -60.72 2.14 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 111.569 0.211 . . . . 0.0 111.569 -177.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -79.78 -39.18 31.45 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.339 -0.544 . . . . 0.0 110.832 -172.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.622 HG23 ' HB3' ' A' ' 42' ' ' GLN . 25.9 m -53.67 -51.55 62.82 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 120.775 0.322 . . . . 0.0 110.921 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.3 m -62.01 -40.24 94.98 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.133 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -65.5 -41.98 92.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.829 -178.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.49 HD13 ' HA ' ' A' ' 51' ' ' LEU . 1.2 mm? -69.9 -33.56 72.36 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 121.086 -0.246 . . . . 0.0 111.412 178.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.762 HD11 HD12 ' A' ' 38' ' ' ILE . 96.4 mt -63.84 -45.71 96.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.795 0.331 . . . . 0.0 110.743 172.558 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -62.43 -45.3 93.72 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 177.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -59.21 -36.85 76.12 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.387 174.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.697 ' HE1' ' HG2' ' B' ' 82' ' ' ARG . 37.6 t80 -58.82 -49.09 79.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.594 174.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 76.7 mt -64.17 -45.9 95.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.181 178.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -57.94 -41.28 82.46 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.331 175.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -59.4 -33.93 71.82 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.06 -178.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.553 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 55.1 mm-40 -76.3 -18.99 58.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.134 -178.111 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.71 -3.74 14.94 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.94 -0.647 . . . . 0.0 111.582 -175.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 127.8 -165.76 20.72 Favored Glycine 0 N--CA 1.443 -0.845 0 C-N-CA 121.07 -0.586 . . . . 0.0 112.335 176.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.713 HD22 HG11 ' A' ' 12' ' ' VAL . 8.8 mp -70.83 -41.57 71.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.171 0.51 . . . . 0.0 111.046 -172.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.49 ' CD ' ' H ' ' A' ' 63' ' ' GLU . 1.5 mp0 -56.96 -33.66 67.27 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.564 -178.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.0 -46.84 64.28 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.555 -176.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.754 ' HB ' HG11 ' B' ' 79' ' ' VAL . 3.8 m -68.15 -28.67 41.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.764 0.316 . . . . 0.0 110.906 -175.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 64.7 mtt-85 -70.68 -21.57 62.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.254 0.55 . . . . 0.0 109.8 178.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.441 ' O ' ' HG2' ' A' ' 70' ' ' ARG . 43.9 mt-30 -86.0 -29.31 23.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.333 178.421 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.791 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 3.0 mm-40 -59.61 -32.84 70.78 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.056 0.455 . . . . 0.0 110.51 175.226 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.547 ' HA ' ' HB2' ' B' ' 78' ' ' ASP . 38.1 mtt -54.46 -23.8 17.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.232 -0.894 . . . . 0.0 111.356 176.146 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.441 ' HG2' ' O ' ' A' ' 67' ' ' GLN . 11.2 ptm180 -127.38 19.53 6.85 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.751 179.368 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.791 ' HB3' ' HA ' ' A' ' 68' ' ' GLU . 42.4 ttt180 -112.92 -81.57 0.59 Allowed 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.442 -175.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.454 ' HG2' ' HG2' ' A' ' 71' ' ' ARG . 16.1 mm100 . . . . . 0 C--O 1.253 1.272 0 CA-C-O 118.046 -0.978 . . . . 0.0 111.35 -176.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.769 0 N-CA-C 111.653 -0.579 . . . . 0.0 111.653 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -124.9 130.16 51.81 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 176.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' MET . . . . . 0.462 ' N ' ' HG3' ' B' ' 81' ' ' GLN . 2.0 mpt? -76.69 -12.28 59.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.623 178.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . 0.823 ' H ' ' HG3' ' B' ' 81' ' ' GLN . 76.0 mt -114.55 150.8 44.49 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.362 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -93.67 32.57 0.23 Allowed 'Trans proline' 0 N--CA 1.456 -0.684 0 C-N-CA 123.189 2.593 . . . . 0.0 113.769 -172.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' ASP . . . . . 0.547 ' HB2' ' HA ' ' A' ' 69' ' ' MET . 3.5 p30 -164.93 -168.38 1.43 Allowed 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.046 0.451 . . . . 0.0 111.819 176.328 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . 0.754 HG11 ' HB ' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -47.79 -33.05 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-N 114.911 -1.041 . . . . 0.0 112.97 178.823 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -54.53 -45.51 73.4 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 -170.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' GLN . . . . . 0.823 ' HG3' ' H ' ' B' ' 76' ' ' LEU . 1.2 tm0? -67.66 -35.55 79.08 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.617 0.722 . . . . 0.0 109.962 179.039 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . 0.697 ' HG2' ' HE1' ' A' ' 55' ' ' PHE . 69.4 ttt180 -67.06 -26.01 66.53 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-N 114.805 -1.089 . . . . 0.0 110.174 -179.587 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . 0.778 HD11 HD11 ' A' ' 38' ' ' ILE . 3.3 mt -69.53 -47.35 64.02 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.565 176.117 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 61.9 mtt -52.6 -43.45 65.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.513 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . 0.527 ' O ' ' HG3' ' B' ' 89' ' ' GLU . 13.4 mm-40 -64.15 -35.94 82.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.967 179.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . 0.554 ' HA ' ' OE2' ' B' ' 89' ' ' GLU . 36.4 t60 -77.0 -39.51 50.11 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.805 -172.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.569 HD23 ' O ' ' B' ' 83' ' ' LEU . 0.6 OUTLIER -68.89 -30.44 68.94 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 120.301 -0.56 . . . . 0.0 109.925 177.456 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.16 -22.94 63.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.213 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.554 ' OE2' ' HA ' ' B' ' 86' ' ' HIS . 43.7 mt-10 -70.03 -15.67 63.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.726 -179.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -123.49 -41.1 2.3 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -169.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 120.15 31.82 1.24 Allowed Glycine 0 CA--C 1.516 0.152 0 C-N-CA 119.988 -1.101 . . . . 0.0 113.114 178.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . 0.542 ' HB ' ' HB3' ' B' ' 87' ' ' LEU . 1.7 mp -51.85 143.07 3.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 C-N-CA 123.421 0.688 . . . . 0.0 112.25 178.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . 0.439 ' HA ' ' HD3' ' B' ' 94' ' ' PRO . 1.1 mp0 -84.23 115.9 62.38 Favored Pre-proline 0 C--O 1.232 0.183 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.74 -179.126 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 94' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' B' ' 93' ' ' GLN . 19.8 Cg_exo -69.41 111.17 2.66 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 123.175 2.583 . . . . 0.0 113.573 -178.399 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . 0.436 ' H ' ' CD ' ' A' ' 42' ' ' GLN . . . 50.94 16.91 0.38 Allowed 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 168.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 17.8 tpp180 -51.78 119.97 4.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.445 0.641 . . . . 0.0 111.28 173.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -86.03 74.13 10.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.781 -175.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 98' ' ' MET . . . . . . . . . . . . . 64.1 mtt -74.44 143.27 44.77 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.849 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . 58.61 27.28 15.53 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.045 176.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 48.07 65.51 1.29 Allowed 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.836 -175.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' HIS . . . . . 0.635 ' ND1' ' HA ' ' A' ' 41' ' ' ALA . 10.7 t-160 -77.58 59.92 2.04 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.539 0.685 . . . . 0.0 109.831 177.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 5.3 mp -138.2 124.76 13.07 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.327 -0.851 . . . . 0.0 108.816 177.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.3 116.83 3.55 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 122.274 1.982 . . . . 0.0 112.025 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_exo -70.79 129.61 16.78 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 123.107 2.538 . . . . 0.0 111.924 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' ALA . . . . . 0.427 ' C ' ' H ' ' B' ' 107' ' ' ASN . . . -129.38 151.49 77.96 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.256 -177.504 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -74.65 19.59 0.46 Allowed 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 123.161 2.574 . . . . 0.0 112.456 178.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' ASN . . . . . 0.427 ' H ' ' C ' ' B' ' 105' ' ' ALA . 12.8 m120 -119.35 139.2 52.35 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.057 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 9.2 m-90 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.373 -0.822 . . . . 0.0 109.982 -177.486 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.748 0 N-CA-C 111.977 -0.449 . . . . 0.0 111.977 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 40.3 t-80 -77.31 -41.08 42.04 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 -179.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 51.2 ttm 64.02 93.57 0.06 Allowed 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.367 0.603 . . . . 0.0 111.595 176.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 66.3 m -154.27 85.58 1.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.771 176.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -106.19 176.2 21.7 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.222 -177.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -80.4 52.85 1.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.557 0.694 . . . . 0.0 110.459 -177.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -94.03 -46.66 7.04 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 174.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.52 ' HB3' ' HA3' ' A' ' 61' ' ' GLY . 11.5 p-80 -78.68 139.53 38.48 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.106 174.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.462 ' O ' HG13 ' A' ' 9' ' ' VAL . 21.9 t 69.03 30.42 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-O 122.554 1.168 . . . . 0.0 108.945 179.222 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.438 ' C ' ' H ' ' A' ' 12' ' ' VAL . 9.1 t -104.41 22.99 13.91 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.602 -1.181 . . . . 0.0 109.012 177.058 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.425 ' HB2' ' O ' ' A' ' 10' ' ' SER . 48.0 m80 71.21 -14.47 0.46 Allowed 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.639 -175.106 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.818 HG22 HD11 ' A' ' 62' ' ' LEU . 22.0 t 62.18 -68.91 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 123.554 0.742 . . . . 0.0 111.971 -176.047 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 166.25 35.82 0.02 OUTLIER Glycine 0 N--CA 1.442 -0.906 0 N-CA-C 108.854 -1.698 . . . . 0.0 108.854 -176.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.658 ' CZ2' ' HA ' ' A' ' 16' ' ' PRO . 49.2 t90 -112.35 143.37 43.58 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 114.88 -0.66 . . . . 0.0 111.452 -171.552 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -113.48 131.75 22.83 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.57 175.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.658 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 19.8 Cg_endo -60.4 -22.3 70.85 Favored 'Trans proline' 0 N--CA 1.477 0.512 0 C-N-CA 123.563 2.842 . . . . 0.0 114.689 -172.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -103.68 -41.97 5.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.972 0.415 . . . . 0.0 111.066 -178.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -87.2 -82.58 0.21 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.697 -178.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.518 ' HA3' ' HA ' ' A' ' 44' ' ' THR . . . 164.11 -146.71 11.77 Favored Glycine 0 N--CA 1.443 -0.846 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.271 -178.398 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.479 ' HB2' ' HG ' ' A' ' 43' ' ' LEU . 72.2 m-85 -78.95 143.56 35.66 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.016 0.436 . . . . 0.0 111.025 -179.087 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -73.42 91.08 1.73 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.096 175.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.699 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 16.0 m -66.03 -19.15 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.282 -174.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -91.9 6.81 44.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.879 0.371 . . . . 0.0 110.818 178.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -134.75 20.76 3.55 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.798 172.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.699 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 14.4 mt -65.97 139.1 58.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.532 0.682 . . . . 0.0 112.08 -177.042 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -78.15 140.91 61.85 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.288 178.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -43.58 -47.07 9.74 Favored 'Trans proline' 0 C--O 1.238 0.517 0 C-N-CA 122.994 2.463 . . . . 0.0 113.355 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -69.84 -47.31 63.19 Favored 'General case' 0 CA--C 1.516 -0.339 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.773 -177.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.8 mp -50.26 -49.71 52.33 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.719 0.295 . . . . 0.0 110.966 172.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.448 ' HD3' ' O ' ' A' ' 30' ' ' ARG . 1.7 tmt_? -58.05 -41.42 83.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.327 -179.345 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.407 ' HB3' ' HE3' ' A' ' 69' ' ' MET . 3.8 t -68.74 -49.02 62.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.189 0.518 . . . . 0.0 110.264 179.074 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.95 HD22 HG11 ' B' ' 79' ' ' VAL . 1.9 tm? -59.87 -56.86 16.5 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.531 -174.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.496 ' HA ' HD13 ' A' ' 38' ' ' ILE . 17.0 m-85 -60.65 -40.01 90.42 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.627 -177.329 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 36.8 t -63.94 -39.54 94.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.749 177.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -63.46 -39.46 94.53 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-O 121.144 0.497 . . . . 0.0 110.767 176.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.77 -18.36 62.12 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.413 -177.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 107.39 -4.92 35.27 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.385 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.778 HD12 HD11 ' A' ' 52' ' ' ILE . 7.0 mt -72.18 115.24 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 122.325 0.25 . . . . 0.0 110.61 178.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.456 ' HB3' ' OE2' ' B' ' 100' ' ' GLU . 7.4 t -91.32 178.76 5.88 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 176.272 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.402 ' HG3' HG11 ' A' ' 22' ' ' VAL . 36.2 tt0 -57.52 -47.65 81.39 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -172.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.548 ' O ' ' HE1' ' B' ' 101' ' ' HIS . . . -68.66 -42.9 77.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.746 0.308 . . . . 0.0 110.857 -179.512 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.587 ' HG2' HG23 ' A' ' 48' ' ' THR . 33.9 tt0 -57.2 -40.76 78.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.449 0.642 . . . . 0.0 109.788 175.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.479 ' HG ' ' HB2' ' A' ' 20' ' ' PHE . 34.9 tp -74.51 -2.35 25.33 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.221 -178.659 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.518 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 12.3 p -125.03 23.99 7.64 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.696 0.76 . . . . 0.0 109.949 174.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.661 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 27.2 t70 -86.13 142.36 28.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.357 172.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.84 -58.44 7.59 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -174.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -76.26 -41.0 50.4 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.623 -176.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.661 ' HB ' ' HB3' ' A' ' 45' ' ' ASP . 37.1 m -52.98 -55.8 20.78 Favored 'General case' 0 N--CA 1.457 -0.089 0 CA-C-O 120.54 0.21 . . . . 0.0 111.49 178.233 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.1 m -64.17 -42.39 96.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.798 0.332 . . . . 0.0 111.452 -176.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -60.95 -35.7 77.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.377 0.608 . . . . 0.0 110.158 -178.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.737 HD11 HD13 ' B' ' 92' ' ' ILE . 84.9 mt -86.24 -29.46 23.11 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.789 -177.534 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.778 HD11 HD12 ' A' ' 38' ' ' ILE . 45.5 mt -62.31 -47.83 91.23 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 C-N-CA 120.534 -0.467 . . . . 0.0 110.453 169.344 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.434 ' HE1' HG21 ' A' ' 12' ' ' VAL . 61.0 t80 -61.05 -43.73 98.44 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 177.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -55.89 -43.59 77.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.139 175.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.648 ' HE1' ' HG3' ' B' ' 82' ' ' ARG . 40.3 t80 -56.72 -55.08 38.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.282 175.602 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 52' ' ' ILE . 62.7 mt -59.18 -44.35 91.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.829 -176.164 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -64.55 -40.16 95.07 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.876 177.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -61.87 -38.68 89.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.15 178.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.543 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 34.1 mm-40 -66.8 -16.64 64.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.505 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.39 0.18 16.18 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.679 -0.772 . . . . 0.0 111.685 -177.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.52 ' HA3' ' HB3' ' A' ' 8' ' ' HIS . . . 123.48 -171.88 16.08 Favored Glycine 0 N--CA 1.441 -0.987 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.657 177.188 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.818 HD11 HG22 ' A' ' 12' ' ' VAL . 8.1 mp -71.16 -46.43 61.47 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.086 0.469 . . . . 0.0 110.271 -174.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -58.55 -32.12 68.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.376 -177.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.83 -53.82 44.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.945 -174.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.672 ' O ' ' HG3' ' A' ' 69' ' ' MET . 0.8 OUTLIER -69.33 -32.86 55.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 C-N-CA 120.522 -0.471 . . . . 0.0 109.918 -175.379 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.474 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 73.2 mtp180 -62.61 -28.68 70.06 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.38 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -82.22 -32.61 29.71 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.254 178.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.696 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 7.3 mt-10 -66.66 -28.85 68.79 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-O 120.871 0.367 . . . . 0.0 110.189 176.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.672 ' HG3' ' O ' ' A' ' 65' ' ' VAL . 66.9 mtp -61.8 -29.52 70.21 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.704 0.764 . . . . 0.0 109.587 175.637 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.2 mtp85 -103.07 14.79 31.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.9 -1.045 . . . . 0.0 108.895 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.696 ' HB3' ' HA ' ' A' ' 68' ' ' GLU . 33.5 ttm180 -133.49 -97.91 0.28 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.888 -1.051 . . . . 0.0 110.174 -175.163 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 . . . . . 0 C--O 1.251 1.135 0 C-N-CA 123.799 0.84 . . . . 0.0 108.869 -179.429 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.624 0 N-CA-C 111.756 -0.537 . . . . 0.0 111.756 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 74.4 m80 -131.51 104.37 6.94 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 178.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' MET . . . . . . . . . . . . . 23.3 mmt -70.35 -16.21 62.95 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.585 0.707 . . . . 0.0 110.156 179.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . 0.733 ' H ' ' HG3' ' B' ' 81' ' ' GLN . 10.3 tp -113.89 145.91 34.5 Favored Pre-proline 0 C--N 1.32 -0.687 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 176.482 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' PRO . . . . . 0.717 ' HD2' ' HG ' ' B' ' 76' ' ' LEU . 51.0 Cg_endo -90.63 48.42 0.79 Allowed 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 123.44 2.76 . . . . 0.0 111.631 -172.438 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -161.22 157.99 26.58 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.147 -167.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . 0.95 HG11 HD22 ' A' ' 32' ' ' LEU . 2.5 p -58.74 -16.07 7.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.077 173.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.517 ' HB3' HD22 ' B' ' 76' ' ' LEU . . . -45.04 -56.37 4.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.944 170.012 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' GLN . . . . . 0.733 ' HG3' ' H ' ' B' ' 76' ' ' LEU . 0.0 OUTLIER -68.72 -28.9 67.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.057 0.456 . . . . 0.0 110.455 -178.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . 0.648 ' HG3' ' HE1' ' A' ' 55' ' ' PHE . 7.9 tpt180 -66.71 -33.9 76.66 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.721 178.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . 0.605 HD12 ' CD2' ' A' ' 55' ' ' PHE . 22.1 tp -77.87 -38.39 46.08 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.499 177.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' MET . . . . . 0.479 ' HG3' ' O ' ' B' ' 80' ' ' ALA . 65.9 mtt -49.36 -48.76 46.47 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.296 0.57 . . . . 0.0 110.828 178.282 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . 0.561 ' O ' ' HG3' ' B' ' 89' ' ' GLU . 43.9 mt-30 -63.74 -39.85 95.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.941 -177.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . 0.585 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 58.8 t60 -66.09 -29.25 69.54 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.739 -173.5 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.429 ' O ' HD11 ' B' ' 92' ' ' ILE . 0.6 OUTLIER -80.15 -35.08 37.09 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.38 174.653 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.67 -22.63 66.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.819 -176.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.561 ' HG3' ' O ' ' B' ' 85' ' ' GLN . 39.2 mt-10 -63.01 -32.02 73.28 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.604 179.5 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 76.2 m-70 -101.83 -74.17 0.63 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -168.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 164.24 30.27 0.02 OUTLIER Glycine 0 N--CA 1.454 -0.16 0 C-N-CA 120.345 -0.931 . . . . 0.0 112.466 179.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . 0.737 HD13 HD11 ' A' ' 51' ' ' LEU . 1.7 mp -53.5 143.5 5.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 C-N-CA 123.371 0.668 . . . . 0.0 112.259 -177.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . 0.51 ' O ' ' HG3' ' A' ' 42' ' ' GLN . 1.1 mp0 -87.18 102.0 2.77 Favored Pre-proline 0 C--N 1.331 -0.232 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 176.335 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 94' ' ' PRO . . . . . 0.489 ' HD3' ' O ' ' B' ' 92' ' ' ILE . 93.9 Cg_endo -87.76 153.46 7.41 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 123.023 2.482 . . . . 0.0 113.891 -170.23 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.7 3.09 46.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.934 177.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -70.5 -44.52 67.47 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.211 -178.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 24.5 p-10 -103.04 20.69 17.1 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.883 177.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 98' ' ' MET . . . . . . . . . . . . . 25.8 mmt 56.16 42.55 28.07 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.378 179.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 99' ' ' ALA . . . . . 0.439 ' O ' ' HB3' ' B' ' 93' ' ' GLN . . . -105.34 32.4 4.28 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.962 -178.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . 0.456 ' OE2' ' HB3' ' A' ' 39' ' ' SER . 48.7 mt-10 -67.29 128.43 36.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.019 177.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' HIS . . . . . 0.548 ' HE1' ' O ' ' A' ' 41' ' ' ALA . 2.1 p-80 -52.92 126.47 20.45 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.343 179.242 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 70.2 mt -123.87 109.14 30.14 Favored Pre-proline 0 C--N 1.323 -0.567 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 177.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_endo -84.97 116.81 1.86 Allowed 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 122.507 2.138 . . . . 0.0 112.417 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -73.28 166.51 29.74 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.915 2.41 . . . . 0.0 111.661 176.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -93.57 113.91 61.53 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.531 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -67.51 98.98 0.5 Allowed 'Trans proline' 0 C--O 1.236 0.39 0 C-N-CA 122.854 2.369 . . . . 0.0 111.987 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -110.43 178.03 4.51 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.439 178.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 72.3 t-105 . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.536 -0.745 . . . . 0.0 109.614 177.855 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.705 0 N-CA-C 112.076 -0.41 . . . . 0.0 112.076 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -142.17 107.82 5.1 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -89.37 150.77 22.4 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.58 -172.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 39.3 m 70.9 -62.74 0.44 Allowed 'General case' 0 N--CA 1.467 0.39 0 O-C-N 124.329 1.018 . . . . 0.0 112.462 176.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 91.55 -143.06 16.37 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 121.001 -0.618 . . . . 0.0 112.011 -178.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.618 ' CE2' ' HA ' ' A' ' 10' ' ' SER . 16.2 t80 -124.71 61.83 1.15 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.575 0.703 . . . . 0.0 109.288 179.551 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -92.38 144.86 24.95 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.479 -0.782 . . . . 0.0 112.162 -172.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.569 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 10.0 t-80 46.99 75.01 0.13 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 114.975 -1.011 . . . . 0.0 112.374 173.623 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.569 ' HB ' ' O ' ' A' ' 8' ' ' HIS . 7.1 p 158.83 -14.92 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 -175.529 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.618 ' HA ' ' CE2' ' A' ' 6' ' ' PHE . 5.3 t -62.16 -29.63 70.49 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 113.671 -1.604 . . . . 0.0 112.01 -177.232 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.498 ' O ' HG12 ' A' ' 12' ' ' VAL . 79.7 m-70 68.77 4.69 4.54 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.872 -170.07 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.575 HG21 HD13 ' A' ' 29' ' ' LEU . 6.6 p 59.61 -47.65 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 126.609 1.964 . . . . 0.0 114.459 176.647 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 159.75 38.77 0.02 OUTLIER Glycine 0 N--CA 1.443 -0.864 0 N-CA-C 110.487 -1.045 . . . . 0.0 110.487 -178.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.547 ' CZ2' ' HA ' ' A' ' 16' ' ' PRO . 49.2 t90 -121.43 133.31 55.07 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.205 -0.497 . . . . 0.0 110.976 -174.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.493 ' HB3' ' HB2' ' A' ' 18' ' ' ASN . 10.8 t70 -108.85 138.73 20.4 Favored Pre-proline 0 C--N 1.323 -0.57 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 173.408 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.547 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 1.2 Cg_endo -43.25 -51.5 5.71 Favored 'Trans proline' 0 CA--C 1.532 0.419 0 C-N-CA 124.214 3.276 . . . . 0.0 113.742 -173.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -104.24 -31.09 9.76 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -177.627 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.493 ' HB2' ' HB3' ' A' ' 15' ' ' ASP . 44.2 m-80 -80.64 -16.31 54.37 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.824 0.345 . . . . 0.0 111.305 -175.34 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 83.26 -162.75 40.54 Favored Glycine 0 N--CA 1.442 -0.959 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.545 177.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.464 ' HB3' HD23 ' A' ' 25' ' ' LEU . 63.0 m-85 -74.08 141.06 45.7 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.122 0.487 . . . . 0.0 110.061 178.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.04 96.25 4.37 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 174.379 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.633 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 9.6 p -61.71 -17.76 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.261 0.553 . . . . 0.0 110.797 -179.698 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -84.05 -11.95 55.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.984 176.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -132.41 27.22 4.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.869 0.366 . . . . 0.0 110.875 -177.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.633 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 19.5 mt -71.36 135.98 47.57 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.155 0.502 . . . . 0.0 112.032 -176.249 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -59.42 130.71 87.67 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 114.922 -1.036 . . . . 0.0 109.691 172.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_exo -51.62 -33.49 48.91 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 123.939 3.092 . . . . 0.0 113.817 -176.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -79.9 -45.04 19.33 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.575 HD13 HG21 ' A' ' 12' ' ' VAL . 90.4 mt -60.76 -41.07 94.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.751 0.31 . . . . 0.0 110.863 176.491 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -60.6 -32.51 71.63 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.232 0.539 . . . . 0.0 109.957 179.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.596 ' HB3' ' HE3' ' A' ' 69' ' ' MET . 7.4 t -74.97 -44.81 46.19 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.834 176.509 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.663 HD11 ' HB ' ' B' ' 79' ' ' VAL . 1.5 tm? -68.85 -54.98 12.6 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.936 -1.029 . . . . 0.0 112.14 -173.319 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.443 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 22.0 m-30 -53.72 -37.72 63.6 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.942 -178.06 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 46.1 t -61.92 -42.21 98.83 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.533 178.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 73.1 mtp85 -63.83 -35.72 81.55 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.178 0.513 . . . . 0.0 110.187 175.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.405 ' O ' ' HG2' ' B' ' 84' ' ' MET . . . -74.54 -5.07 40.7 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.14 -0.936 . . . . 0.0 112.056 -174.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.99 -3.57 82.75 Favored Glycine 0 CA--C 1.509 -0.304 0 C-N-CA 120.702 -0.761 . . . . 0.0 111.535 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.89 HD12 HD11 ' A' ' 52' ' ' ILE . 33.2 mt -72.55 108.3 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.808 0 CA-C-N 115.357 -0.421 . . . . 0.0 110.178 176.271 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.0 t -94.42 -178.71 4.67 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.695 177.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -58.17 -39.17 78.19 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.821 0.343 . . . . 0.0 111.577 -175.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.3 -43.38 96.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.775 0.322 . . . . 0.0 111.451 177.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.683 ' HG3' ' HB3' ' B' ' 95' ' ' ALA . 23.0 mt-30 -66.66 -34.58 78.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.642 -0.253 . . . . 0.0 111.184 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.601 HD13 HD13 ' A' ' 25' ' ' LEU . 53.0 mt -76.72 -8.0 56.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.81 0.338 . . . . 0.0 111.127 179.496 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.1 p -116.99 15.51 15.12 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.528 0.68 . . . . 0.0 109.679 175.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.596 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 31.5 t70 -90.77 156.92 17.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.395 178.506 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.14 -68.07 0.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.506 0.193 . . . . 0.0 111.504 -178.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -75.34 -35.81 61.13 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.973 -172.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.596 ' HB ' ' HB3' ' A' ' 45' ' ' ASP . 28.8 m -56.44 -60.04 4.1 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.277 178.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 14.5 m -58.02 -41.29 82.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.779 0.323 . . . . 0.0 111.109 -176.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.466 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 64.0 tttp -60.72 -40.82 93.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.659 -178.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.708 HD11 HD13 ' B' ' 92' ' ' ILE . 62.5 mt -84.39 -20.0 32.64 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.796 -177.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.89 HD11 HD12 ' A' ' 38' ' ' ILE . 59.7 mt -65.58 -47.1 87.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 CA-C-O 121.042 0.449 . . . . 0.0 109.82 167.03 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.469 ' HH ' ' HA ' ' A' ' 11' ' ' HIS . 87.4 t80 -63.71 -39.73 95.03 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 176.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.417 ' HB3' ' HA ' ' A' ' 51' ' ' LEU . 23.9 t70 -54.85 -40.79 70.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.161 173.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.671 ' HE1' ' HG2' ' B' ' 82' ' ' ARG . 41.5 t80 -61.35 -50.53 72.56 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.3 -0.863 . . . . 0.0 111.161 176.28 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.513 HG13 ' O ' ' A' ' 52' ' ' ILE . 51.3 mt -64.66 -41.57 92.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.713 -176.61 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -63.15 -38.72 92.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.794 176.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.419 ' HB3' ' O ' ' A' ' 55' ' ' PHE . 4.3 t70 -58.03 -41.2 82.72 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.417 177.575 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.605 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 64.8 mm-40 -69.5 -15.03 63.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.296 -176.044 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.48 -6.67 12.66 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.899 -0.667 . . . . 0.0 111.935 -177.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 128.74 -161.44 22.37 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.643 177.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.459 ' CD2' ' HB ' ' A' ' 12' ' ' VAL . 27.9 mt -74.32 -42.29 59.7 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.925 0.393 . . . . 0.0 110.934 -171.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.468 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 45.0 mt-10 -66.27 -25.08 66.7 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.898 -177.638 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.448 ' O ' ' HG2' ' A' ' 68' ' ' GLU . . . -65.63 -44.42 86.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.562 -177.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.495 HG11 HG13 ' B' ' 79' ' ' VAL . 97.3 t -64.9 -35.58 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.105 0.479 . . . . 0.0 110.656 -178.261 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -63.06 -29.79 71.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.754 176.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.468 ' HG3' ' O ' ' A' ' 63' ' ' GLU . 21.9 mt-30 -74.68 -41.51 60.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.477 179.194 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.587 ' HB2' HG23 ' B' ' 79' ' ' VAL . 4.3 mm-40 -59.64 -30.65 68.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.19 -177.407 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.596 ' HE3' ' HB3' ' A' ' 31' ' ' SER . 30.5 mtt -61.21 -27.1 68.18 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.393 178.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -118.41 21.63 12.54 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.378 0.609 . . . . 0.0 109.927 176.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.552 ' HD2' ' N ' ' A' ' 72' ' ' GLN . 2.6 tmm_? -132.75 -91.36 0.39 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.448 178.515 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.552 ' N ' ' HD2' ' A' ' 71' ' ' ARG . 8.9 pt20 . . . . . 0 C--O 1.252 1.215 0 C-N-CA 123.792 0.837 . . . . 0.0 109.251 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.736 0 N-CA-C 111.648 -0.581 . . . . 0.0 111.648 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . 0.976 ' HB3' ' HG3' ' B' ' 82' ' ' ARG . 71.6 m80 -138.62 41.94 2.17 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.21 0.529 . . . . 0.0 110.485 178.04 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' MET . . . . . . . . . . . . . 67.2 mtt -86.59 88.06 7.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.971 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . 0.983 HD12 ' HB3' ' B' ' 81' ' ' GLN . 35.3 mt -140.53 178.67 1.49 Allowed Pre-proline 0 C--N 1.324 -0.525 0 CA-C-O 118.341 -0.837 . . . . 0.0 109.012 177.603 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' PRO . . . . . 0.633 ' CD ' ' HB3' ' B' ' 76' ' ' LEU . 24.2 Cg_exo -63.53 -32.73 69.97 Favored 'Trans proline' 0 C--N 1.36 1.16 0 C-N-CA 121.725 1.617 . . . . 0.0 114.05 -164.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' ASP . . . . . 0.449 ' HA ' ' OXT' ' A' ' 72' ' ' GLN . 4.6 p-10 -164.76 -174.2 3.28 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.937 -178.533 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . 0.663 ' HB ' HD11 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -49.48 -36.6 10.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.555 177.537 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.1 -64.96 0.65 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.616 0.722 . . . . 0.0 111.926 -178.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' GLN . . . . . 0.983 ' HB3' HD12 ' B' ' 76' ' ' LEU . 2.0 mp0 -72.21 -25.31 61.61 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.457 -176.481 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . 0.976 ' HG3' ' HB3' ' B' ' 74' ' ' HIS . 39.7 ttm180 -66.0 -32.74 74.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.411 0.624 . . . . 0.0 109.968 176.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . 0.602 HD11 ' CD1' ' A' ' 38' ' ' ILE . 1.3 mt -71.47 -42.01 68.66 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.918 177.443 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' MET . . . . . 0.405 ' HG2' ' O ' ' A' ' 36' ' ' ALA . 58.2 mtt -49.54 -52.74 27.74 Favored 'General case' 0 CA--C 1.519 -0.222 0 O-C-N 123.677 0.61 . . . . 0.0 110.049 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . 0.709 ' OE1' ' HA ' ' B' ' 74' ' ' HIS . 95.9 mt-30 -58.83 -42.23 88.76 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.34 179.191 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . 0.719 ' HA ' ' OE2' ' B' ' 89' ' ' GLU . 33.2 t60 -70.27 -23.25 62.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.76 -171.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.462 ' HB3' ' HB ' ' B' ' 92' ' ' ILE . 0.2 OUTLIER -86.07 -42.65 13.75 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.068 173.719 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.83 -30.66 70.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.815 -177.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.719 ' OE2' ' HA ' ' B' ' 86' ' ' HIS . 13.6 pt-20 -68.91 -18.1 64.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.64 0.257 . . . . 0.0 111.686 -178.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 67.5 m-70 -103.82 -41.41 5.91 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -177.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 127.58 16.84 2.21 Favored Glycine 0 CA--C 1.516 0.156 0 C-N-CA 120.165 -1.017 . . . . 0.0 112.795 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . 0.708 HD13 HD11 ' A' ' 51' ' ' LEU . 1.7 mp -46.96 143.82 0.84 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.424 0 C-N-CA 123.585 0.754 . . . . 0.0 112.579 178.208 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -82.61 113.78 47.19 Favored Pre-proline 0 N--CA 1.453 -0.302 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.867 177.136 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 94' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.76 142.69 44.13 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.709 2.272 . . . . 0.0 112.819 -174.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . 0.683 ' HB3' ' HG3' ' A' ' 42' ' ' GLN . . . -101.98 5.24 40.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.055 177.631 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -57.31 -57.78 11.13 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 170.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 22.1 p-10 -121.13 137.04 54.85 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.85 -1.068 . . . . 0.0 108.635 170.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 98' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -76.09 71.41 2.84 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.761 0.315 . . . . 0.0 110.957 -177.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -75.12 -77.21 0.13 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.616 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -114.65 126.07 54.46 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.129 178.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -175.17 24.54 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 176.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 29.0 pt -131.53 141.02 40.21 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.303 -170.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -87.89 133.42 3.0 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 C-N-CA 122.82 2.346 . . . . 0.0 111.257 172.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_exo -51.43 116.24 2.58 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.795 2.33 . . . . 0.0 112.034 179.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -76.7 117.43 64.64 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.229 -177.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -61.95 130.91 32.68 Favored 'Trans proline' 0 C--O 1.235 0.354 0 C-N-CA 122.809 2.339 . . . . 0.0 111.699 178.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -148.5 -174.16 4.53 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.446 -178.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 10.5 m-90 . . . . . 0 C--O 1.252 1.232 0 CA-C-O 118.446 -0.788 . . . . 0.0 110.578 -176.826 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.594 0 N-CA-C 111.791 -0.523 . . . . 0.0 111.791 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 22.3 p-80 -161.39 129.3 4.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.882 0.372 . . . . 0.0 110.092 178.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.0 ptt? -129.5 1.14 5.03 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.994 0.426 . . . . 0.0 111.045 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.9 m -92.37 64.24 4.33 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.318 0.58 . . . . 0.0 109.75 175.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -86.69 -35.04 10.6 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.562 -174.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.575 ' CE2' ' HB3' ' A' ' 8' ' ' HIS . 47.7 t80 -88.33 106.12 18.02 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.898 0.38 . . . . 0.0 110.293 -179.178 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.739 ' HG2' ' HG2' ' A' ' 63' ' ' GLU . 21.6 tptm -88.55 80.15 7.43 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.294 0.568 . . . . 0.0 110.276 -177.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.575 ' HB3' ' CE2' ' A' ' 6' ' ' PHE . 20.9 t-80 -176.57 63.63 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.032 -0.986 . . . . 0.0 109.032 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 24.0 t -130.29 -21.73 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.151 -172.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.443 ' O ' ' HB2' ' A' ' 11' ' ' HIS . 29.9 p -63.21 -13.29 35.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.621 179.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.443 ' HB2' ' O ' ' A' ' 10' ' ' SER . 41.2 m80 69.14 2.48 3.65 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.499 -170.06 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.509 HG23 HD11 ' A' ' 62' ' ' LEU . 2.5 t 54.3 18.75 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 CA-C-N 114.789 -1.096 . . . . 0.0 112.634 176.272 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 64.61 22.32 67.83 Favored Glycine 0 CA--C 1.517 0.197 0 C-N-CA 120.9 -0.666 . . . . 0.0 112.23 -176.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 88.5 t90 -97.95 134.64 40.79 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.891 0.377 . . . . 0.0 110.754 -177.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.41 ' CG ' ' HD2' ' A' ' 16' ' ' PRO . 7.0 t70 -117.33 136.48 23.48 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.595 178.143 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.41 ' HD2' ' CG ' ' A' ' 15' ' ' ASP . 76.5 Cg_exo -29.15 -70.71 0.04 OUTLIER 'Trans proline' 0 CA--C 1.534 0.523 1 C-N-CA 125.59 4.193 . . . . 0.0 115.879 -173.053 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -103.42 -23.96 13.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.868 0.366 . . . . 0.0 111.206 -175.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -73.98 -30.77 62.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.788 0.328 . . . . 0.0 110.605 -177.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.67 -153.6 19.24 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.918 -0.658 . . . . 0.0 113.412 173.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -85.44 143.84 28.34 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.573 -0.313 . . . . 0.0 110.342 -179.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -71.71 85.22 0.91 Allowed 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 173.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.67 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 12.7 p -62.3 -24.76 35.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.679 -175.599 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.469 HD21 ' ND2' ' A' ' 24' ' ' ASN . 8.9 t30 -75.2 -36.18 61.45 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.094 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.469 ' ND2' HD21 ' A' ' 23' ' ' ASN . 40.6 m-80 -116.72 42.95 2.35 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.15 0.5 . . . . 0.0 110.389 179.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.67 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 5.6 mt -66.11 140.69 58.25 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.011 -179.155 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -58.45 131.05 84.94 Favored Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 173.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -47.94 -24.8 5.56 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 123.908 3.072 . . . . 0.0 114.504 -173.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.418 ' OD2' ' HG3' ' A' ' 69' ' ' MET . 10.9 t70 -84.94 -51.2 6.88 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 179.179 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.51 ' HG ' ' CZ ' ' A' ' 33' ' ' PHE . 9.5 mp -54.16 -44.36 71.39 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.961 0.41 . . . . 0.0 111.167 173.511 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.5 tpt180 -58.33 -24.84 60.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.732 178.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.7 t -90.05 -45.18 9.33 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.166 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.416 ' HB2' ' HE1' ' A' ' 69' ' ' MET . 1.7 tm? -69.14 -54.28 15.74 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.416 -172.252 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.51 ' CZ ' ' HG ' ' A' ' 29' ' ' LEU . 21.5 m-30 -55.9 -36.78 68.04 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.639 -174.412 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.6 t -63.72 -32.41 73.89 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.483 177.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.449 HH11 ' HD2' ' A' ' 35' ' ' ARG . 23.7 mtp85 -74.81 -27.3 60.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.152 0.501 . . . . 0.0 110.46 177.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.484 ' HB1' ' HB3' ' B' ' 83' ' ' LEU . . . -83.61 -14.79 51.2 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.433 -175.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 107.73 -9.07 37.41 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.257 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.904 HD12 HD11 ' A' ' 52' ' ' ILE . 7.7 mt -73.31 119.03 19.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.821 0.343 . . . . 0.0 111.552 -177.357 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.518 ' HB3' ' HB1' ' B' ' 95' ' ' ALA . 39.5 t -95.85 177.18 5.85 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.089 174.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.502 ' HB3' ' CE1' ' B' ' 101' ' ' HIS . 87.3 mt-10 -50.03 -54.22 21.7 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.148 0.499 . . . . 0.0 111.729 -178.148 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.451 ' HB3' ' SD ' ' B' ' 98' ' ' MET . . . -56.71 -27.46 59.08 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.924 -173.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.555 ' HB3' HG23 ' A' ' 48' ' ' THR . 54.8 mt-30 -83.7 -30.4 26.79 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.263 -175.019 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.533 HD13 HD11 ' A' ' 25' ' ' LEU . 97.2 mt -73.42 -18.77 61.11 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.037 175.441 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 42.3 p -104.19 11.81 34.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.905 176.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.659 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 21.4 t70 -91.8 144.26 25.68 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.539 175.583 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.58 -69.41 0.21 Allowed 'General case' 0 C--O 1.239 0.529 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -172.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -71.26 -35.3 71.33 Favored 'General case' 0 CA--C 1.52 -0.179 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.243 -174.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.659 ' HB ' ' HB3' ' A' ' 45' ' ' ASP . 56.0 m -60.64 -50.53 73.15 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.919 -179.303 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.7 t -68.03 -44.74 75.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.294 -175.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -66.93 -31.75 72.55 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.984 -0.287 . . . . 0.0 111.092 -176.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.463 HD12 HD13 ' B' ' 92' ' ' ILE . 67.6 mt -76.14 -28.87 57.57 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.894 -0.322 . . . . 0.0 111.038 177.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.904 HD11 HD12 ' A' ' 38' ' ' ILE . 75.1 mt -69.19 -44.6 80.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 121.248 0.547 . . . . 0.0 110.337 170.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -61.44 -41.42 97.17 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.122 178.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -68.12 -29.24 68.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.923 176.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.875 ' HE1' ' HG3' ' B' ' 82' ' ' ARG . 20.1 t80 -63.76 -47.2 81.96 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.741 177.389 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.454 HD13 ' HZ ' ' A' ' 33' ' ' PHE . 58.5 mt -62.62 -35.9 72.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.437 0.637 . . . . 0.0 109.967 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -68.65 -47.35 66.79 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.978 175.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -52.4 -36.39 54.06 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.784 176.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -75.33 -11.86 60.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.606 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.76 -7.9 11.96 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.657 -0.782 . . . . 0.0 113.23 178.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 131.16 -171.08 21.16 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.441 -0.885 . . . . 0.0 112.399 178.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.509 HD11 HG23 ' A' ' 12' ' ' VAL . 84.8 mt -64.47 -48.4 75.39 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.633 0.217 . . . . 0.0 111.563 -174.523 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.739 ' HG2' ' HG2' ' A' ' 7' ' ' LYS . 26.9 mm-40 -60.37 -32.07 70.94 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.337 -177.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.87 -42.37 97.77 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.935 0.397 . . . . 0.0 111.369 -175.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.569 HG13 HG11 ' B' ' 79' ' ' VAL . 81.7 t -70.4 -41.21 78.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.379 0.609 . . . . 0.0 109.718 178.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.416 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 51.7 mtp180 -68.36 -22.08 64.68 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.516 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.577 ' HG3' ' O ' ' A' ' 63' ' ' GLU . 96.8 mt-30 -73.56 -44.01 58.43 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.323 174.48 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.816 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 23.9 mt-10 -63.87 -21.88 66.66 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.729 0.3 . . . . 0.0 111.59 -178.205 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.418 ' HG3' ' OD2' ' A' ' 28' ' ' ASP . 11.6 mmt -57.21 -27.58 62.11 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.824 171.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.1 mtp180 -116.17 -12.11 11.26 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.466 -178.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.816 ' HB3' ' HA ' ' A' ' 68' ' ' GLU . 32.4 ttt180 -69.26 -66.83 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.68 178.133 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 . . . . . 0 C--O 1.249 1.055 0 CA-C-N 115.142 -0.936 . . . . 0.0 109.987 -177.061 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.622 0 N-CA-C 111.583 -0.607 . . . . 0.0 111.583 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . 0.495 ' HB3' ' O ' ' B' ' 76' ' ' LEU . 79.9 m80 -127.49 98.33 5.19 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 175.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' MET . . . . . . . . . . . . . 26.0 ttt -61.64 -28.31 69.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.556 0.694 . . . . 0.0 109.853 177.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . 0.701 ' HB2' ' HB2' ' B' ' 81' ' ' GLN . 82.2 mt -109.22 135.26 20.25 Favored Pre-proline 0 C--N 1.317 -0.811 0 CA-C-N 114.838 -1.074 . . . . 0.0 108.582 171.226 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -81.58 -17.69 8.53 Favored 'Trans proline' 0 C--N 1.334 -0.221 0 C-N-CA 122.58 2.187 . . . . 0.0 113.523 -168.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -104.87 -167.51 1.36 Allowed 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.028 -172.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . 0.569 HG11 HG13 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -48.57 -28.87 2.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.065 -0.97 . . . . 0.0 113.162 178.499 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.64 -62.58 1.54 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -177.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' GLN . . . . . 0.701 ' HB2' ' HB2' ' B' ' 76' ' ' LEU . 1.7 tm0? -71.85 -25.45 61.97 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.21 0.529 . . . . 0.0 110.709 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . 0.875 ' HG3' ' HE1' ' A' ' 55' ' ' PHE . 23.9 tpt180 -67.19 -26.95 66.88 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-O 121.522 0.677 . . . . 0.0 109.886 178.363 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . 0.734 HD11 HD11 ' A' ' 38' ' ' ILE . 0.5 OUTLIER -81.46 -40.67 22.95 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.518 179.818 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 63.5 mtt -52.16 -55.49 20.63 Favored 'General case' 0 N--CA 1.465 0.293 0 O-C-N 123.675 0.61 . . . . 0.0 110.688 -179.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -62.7 -31.49 72.41 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.273 -178.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . 0.465 ' HA ' ' OE1' ' B' ' 89' ' ' GLU . 65.1 t60 -77.05 -17.64 58.64 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 -175.253 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.629 HD22 HG12 ' B' ' 92' ' ' ILE . 61.8 mt -94.52 -36.31 11.9 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.301 0.572 . . . . 0.0 110.227 174.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.53 -23.37 66.22 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.592 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.634 ' HG3' ' CD2' ' B' ' 90' ' ' HIS . 10.1 pt-20 -73.68 -9.12 58.34 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.266 -0.425 . . . . 0.0 112.089 -178.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . 0.634 ' CD2' ' HG3' ' B' ' 89' ' ' GLU . 97.9 m-70 -118.44 -76.23 0.57 Allowed 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.809 -178.424 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 163.18 36.55 0.02 OUTLIER Glycine 0 C--O 1.231 -0.072 0 C-N-CA 120.507 -0.854 . . . . 0.0 112.341 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . 0.629 HG12 HD22 ' B' ' 87' ' ' LEU . 1.7 mp -55.23 140.76 12.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 123.368 0.667 . . . . 0.0 112.434 -178.309 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . 0.428 ' HA ' ' HD3' ' B' ' 94' ' ' PRO . 24.6 mp0 -86.03 131.06 47.89 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.113 179.131 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 94' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' B' ' 93' ' ' GLN . 22.5 Cg_exo -64.98 170.67 9.98 Favored 'Trans proline' 0 N--CA 1.464 -0.265 0 C-N-CA 122.831 2.354 . . . . 0.0 111.389 174.258 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . 0.518 ' HB1' ' HB3' ' A' ' 39' ' ' SER . . . -75.26 66.84 1.8 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.177 0.513 . . . . 0.0 110.995 -178.275 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . 0.441 ' HA ' ' CZ ' ' B' ' 96' ' ' ARG . 3.9 mmp_? -107.76 1.01 22.65 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.13 -176.073 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 97' ' ' ASN . . . . . 0.412 ' OD1' ' HB1' ' A' ' 41' ' ' ALA . 5.2 p30 -95.34 -78.21 0.46 Allowed 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.084 179.455 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 98' ' ' MET . . . . . 0.451 ' SD ' ' HB3' ' A' ' 41' ' ' ALA . 20.4 mmt 56.84 29.88 16.85 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 120.607 0.241 . . . . 0.0 111.513 179.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.34 -55.83 14.06 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.16 0.505 . . . . 0.0 111.048 -177.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -94.06 36.58 1.12 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.031 -179.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' HIS . . . . . 0.502 ' CE1' ' HB3' ' A' ' 40' ' ' GLU . 15.7 m-70 -127.37 153.98 45.54 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.911 -179.248 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 59.3 mt -134.0 82.74 47.99 Favored Pre-proline 0 C--N 1.322 -0.606 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 174.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -76.24 153.13 35.79 Favored 'Trans proline' 0 N--CA 1.464 -0.23 0 C-N-CA 122.742 2.295 . . . . 0.0 112.286 -178.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo -61.21 116.46 3.4 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.887 2.391 . . . . 0.0 112.017 179.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' ALA . . . . . 0.406 ' HA ' ' HD3' ' B' ' 106' ' ' PRO . . . -88.92 140.68 29.28 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.644 -178.067 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 105' ' ' ALA . 16.7 Cg_exo -69.69 48.23 0.6 Allowed 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 123.556 2.837 . . . . 0.0 112.513 177.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -97.03 -25.44 15.36 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 176.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 72.9 t-105 . . . . . 0 C--O 1.25 1.114 0 CA-C-N 115.078 -0.964 . . . . 0.0 109.8 179.04 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.427 ' O ' ' HB2' ' A' ' 2' ' ' HIS . . . . . . . . 0 N--CA 1.483 1.829 0 N-CA-C 111.84 -0.504 . . . . 0.0 111.84 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.427 ' HB2' ' O ' ' A' ' 1' ' ' GLY . 50.6 m-70 72.13 -53.26 0.69 Allowed 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.257 0.623 . . . . 0.0 111.892 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 66.1 mtt -117.23 167.92 10.77 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.929 0.395 . . . . 0.0 111.132 -178.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 68.4 m -128.65 77.86 1.81 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.019 176.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -93.09 -86.13 1.58 Allowed Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.894 -0.669 . . . . 0.0 112.242 -179.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -79.39 73.48 6.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.744 0.783 . . . . 0.0 110.488 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.458 ' HG3' ' HG3' ' A' ' 63' ' ' GLU . 10.9 mmmm -99.3 40.26 1.23 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.782 178.424 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.887 ' HE2' ' HH ' ' A' ' 53' ' ' TYR . 11.3 t-160 -117.85 69.0 0.77 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.898 -177.236 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.0 m -133.28 -24.6 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.144 -176.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.49 ' C ' ' H ' ' A' ' 12' ' ' VAL . 2.3 m -70.12 -3.01 14.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.245 -178.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.504 ' O ' HG13 ' A' ' 12' ' ' VAL . 68.5 m80 70.54 -6.05 1.28 Allowed 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.393 0.677 . . . . 0.0 110.32 -174.369 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.504 HG13 ' O ' ' A' ' 11' ' ' HIS . 0.3 OUTLIER 62.21 -38.77 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 125.444 1.498 . . . . 0.0 113.722 -177.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 128.77 31.81 0.63 Allowed Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.319 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.424 ' HB2' ' CE1' ' A' ' 20' ' ' PHE . 76.4 t90 -116.23 132.45 56.66 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.614 0.245 . . . . 0.0 110.437 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.705 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . 1.1 t70 -114.29 140.17 24.74 Favored Pre-proline 0 C--N 1.322 -0.599 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 176.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_exo -33.78 -62.16 0.19 Allowed 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 124.567 3.511 . . . . 0.0 115.028 -174.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -104.38 -30.23 10.23 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 -177.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.705 ' HB3' ' HB3' ' A' ' 15' ' ' ASP . 28.6 t-20 -66.25 -34.8 78.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.775 0.321 . . . . 0.0 110.902 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 91.53 -165.23 29.72 Favored Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 115.987 -0.551 . . . . 0.0 112.45 178.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.565 ' CD2' HD12 ' A' ' 43' ' ' LEU . 97.9 m-85 -73.21 122.53 22.06 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 174.366 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -74.42 119.49 18.69 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 119.997 -0.681 . . . . 0.0 110.079 -178.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.641 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 18.0 m -72.69 -12.67 15.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.951 -172.193 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -78.42 -31.56 48.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.919 0.39 . . . . 0.0 110.145 -178.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -120.11 30.13 7.16 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.314 -177.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.641 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 23.2 mt -65.92 117.61 8.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.358 175.689 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -54.59 134.68 63.72 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.862 175.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -49.27 -28.39 14.9 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 123.982 3.121 . . . . 0.0 114.24 -177.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -76.27 -44.65 36.25 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 177.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.503 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 89.3 mt -62.52 -47.66 82.95 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.113 176.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -55.79 -40.63 72.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.106 178.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.628 ' HB3' ' HE3' ' A' ' 69' ' ' MET . 10.0 t -63.0 -54.15 42.78 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.34 178.196 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.411 ' CD1' HG12 ' B' ' 79' ' ' VAL . 57.4 tp -62.49 -49.49 75.15 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.415 -173.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.503 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 16.8 m-30 -64.79 -47.76 76.95 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.324 -170.367 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.6 m -67.66 -23.88 65.37 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.295 0.569 . . . . 0.0 110.708 177.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.7 ttt85 -80.13 -15.58 56.79 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.932 175.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -107.86 18.76 20.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.605 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.3 -17.72 17.31 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 121.091 -0.576 . . . . 0.0 113.328 175.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.704 HD12 HD11 ' A' ' 52' ' ' ILE . 40.4 mt -65.09 105.14 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.135 0.493 . . . . 0.0 111.124 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.506 ' HB3' ' HB1' ' B' ' 95' ' ' ALA . 33.4 t -77.65 169.59 18.04 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.568 174.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.507 ' HB3' ' CE1' ' B' ' 101' ' ' HIS . 40.7 mt-10 -52.87 -44.54 66.92 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 -177.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.19 -24.88 60.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.268 -177.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.56 ' HB3' HG23 ' A' ' 48' ' ' THR . 47.3 mt-30 -82.27 -30.93 30.34 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.095 -176.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.565 HD12 ' CD2' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -66.13 -28.78 69.06 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.426 -0.51 . . . . 0.0 109.741 172.322 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.7 p -97.62 11.74 35.96 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.787 178.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.652 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 23.3 t70 -91.85 137.5 32.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.918 176.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.3 -68.66 0.19 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -171.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.0 pm0 -69.34 -39.93 77.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.191 -176.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.726 ' HA ' HG13 ' B' ' 92' ' ' ILE . 56.2 m -56.63 -52.51 64.61 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -177.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 88.1 p -66.14 -38.32 87.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.838 0.352 . . . . 0.0 111.183 -176.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -63.15 -39.28 94.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.44 -176.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.728 HD21 HD13 ' B' ' 92' ' ' ILE . 1.0 OUTLIER -74.43 -29.24 61.41 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.365 -0.534 . . . . 0.0 111.604 178.917 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.704 HD11 HD12 ' A' ' 38' ' ' ILE . 71.1 mt -63.38 -44.88 99.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.978 0.418 . . . . 0.0 110.172 171.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.887 ' HH ' ' HE2' ' A' ' 8' ' ' HIS . 36.3 t80 -61.24 -43.23 99.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.892 178.324 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -62.3 -41.51 98.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.19 -0.913 . . . . 0.0 110.701 175.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.549 ' CD2' HD13 ' B' ' 83' ' ' LEU . 59.3 t80 -56.45 -51.52 68.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.563 178.026 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.546 ' CG2' ' HA ' ' A' ' 62' ' ' LEU . 74.5 mt -61.13 -38.89 80.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.611 -177.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -66.44 -43.32 85.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.397 177.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -57.6 -31.2 65.98 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.972 -177.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.519 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 51.4 mm-40 -83.06 -1.9 53.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.824 0.345 . . . . 0.0 111.183 -176.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.61 -17.59 10.2 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.484 -0.865 . . . . 0.0 112.678 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 145.04 -177.63 23.35 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.243 -0.98 . . . . 0.0 113.317 177.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.546 ' HA ' ' CG2' ' A' ' 56' ' ' ILE . 72.8 mt -60.45 -36.59 78.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.389 -0.406 . . . . 0.0 111.489 -175.333 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.458 ' HG3' ' HG3' ' A' ' 7' ' ' LYS . 5.3 mm-40 -77.13 -18.56 57.81 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.105 -176.402 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.412 ' O ' ' HG3' ' A' ' 68' ' ' GLU . . . -64.08 -58.31 7.05 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 -173.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.765 ' HB ' HG21 ' B' ' 79' ' ' VAL . 3.0 m -74.8 -22.48 17.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.888 0.851 . . . . 0.0 109.383 -176.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 54.2 ttt180 -67.49 -28.92 68.24 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.154 -1.384 . . . . 0.0 109.701 177.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -87.86 -28.58 21.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.979 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.672 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 21.3 mt-10 -62.06 -19.55 63.04 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 120.608 0.242 . . . . 0.0 111.521 -176.458 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.628 ' HE3' ' HB3' ' A' ' 31' ' ' SER . 49.1 mtt -61.59 -32.26 72.35 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.235 0.54 . . . . 0.0 110.725 175.045 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.65 6.02 16.74 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.655 -179.723 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.672 ' HB3' ' HA ' ' A' ' 68' ' ' GLU . 32.2 ttt-85 -96.26 -58.26 2.12 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.326 -177.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.442 ' OE1' ' HD3' ' A' ' 71' ' ' ARG . 1.1 mp0 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.579 -0.724 . . . . 0.0 109.555 172.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.839 0 N-CA-C 112.422 -0.271 . . . . 0.0 112.422 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 44.6 p-80 -87.7 90.12 8.25 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.628 0.728 . . . . 0.0 110.473 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' MET . . . . . . . . . . . . . 22.4 ptt? -126.97 79.08 1.85 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.838 0.828 . . . . 0.0 110.79 -176.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . 0.731 ' H ' ' HB3' ' B' ' 81' ' ' GLN . 4.5 mm? -99.55 149.21 35.67 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.758 176.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -81.29 15.18 1.94 Allowed 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.873 2.382 . . . . 0.0 111.68 178.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -151.53 -167.38 2.78 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.071 -174.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . 0.765 HG21 ' HB ' ' A' ' 65' ' ' VAL . 2.4 p -59.04 -28.41 38.69 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -177.208 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.542 ' HB3' ' HG ' ' B' ' 76' ' ' LEU . . . -50.86 -37.46 43.41 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 113.296 0.85 . . . . 0.0 113.296 -174.452 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' GLN . . . . . 0.731 ' HB3' ' H ' ' B' ' 76' ' ' LEU . 3.3 pt20 -69.86 -35.39 74.66 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.862 -177.125 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . 0.511 ' N ' ' HG3' ' B' ' 81' ' ' GLN . 34.8 ttm180 -68.49 -18.42 64.39 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.608 0.718 . . . . 0.0 110.134 -177.241 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . 0.7 HD21 ' CD1' ' A' ' 38' ' ' ILE . 32.7 tp -83.35 -44.37 14.93 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.052 -0.977 . . . . 0.0 110.924 -176.201 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 51.9 mtm -60.42 -37.33 80.56 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.909 0.385 . . . . 0.0 110.731 178.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . 0.465 ' O ' ' HG2' ' B' ' 89' ' ' GLU . 3.0 tt0 -71.96 -39.13 69.58 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.33 179.038 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . 0.545 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 46.8 t60 -63.19 -29.14 70.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.733 179.494 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.575 HD22 HG12 ' B' ' 92' ' ' ILE . 64.1 mt -86.32 -47.3 9.5 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.846 179.469 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.02 -38.95 54.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.513 -0.767 . . . . 0.0 112.103 -178.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' B' ' 85' ' ' GLN . 6.2 mm-40 -60.84 -29.12 69.31 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -102.43 2.08 36.09 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.4 0.518 . . . . 0.0 112.4 -172.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 83.55 29.58 32.35 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 120.541 -0.838 . . . . 0.0 113.514 175.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . 0.728 HD13 HD21 ' A' ' 51' ' ' LEU . 1.6 mp -59.51 141.77 15.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.785 0.326 . . . . 0.0 111.499 174.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . 0.572 HE21 ' HA ' ' B' ' 93' ' ' GLN . 0.1 OUTLIER -93.6 112.95 58.92 Favored Pre-proline 0 CA--C 1.532 0.273 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.254 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 94' ' ' PRO . . . . . 0.509 ' HA ' ' NE2' ' A' ' 42' ' ' GLN . 59.9 Cg_endo -74.16 143.66 32.42 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.42 2.08 . . . . 0.0 112.522 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . 0.506 ' HB1' ' HB3' ' A' ' 39' ' ' SER . . . -106.0 -4.21 20.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.803 179.545 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 62.57 -83.15 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.273 -178.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -150.65 22.89 0.8 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.314 0.578 . . . . 0.0 110.361 179.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 98' ' ' MET . . . . . . . . . . . . . 24.1 mmt -81.54 113.57 19.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.955 177.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -98.53 -173.02 2.44 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.215 -177.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . 0.417 ' HB3' HG13 ' B' ' 102' ' ' ILE . 2.9 mp0 70.4 166.31 0.29 Allowed 'General case' 0 N--CA 1.463 0.222 0 O-C-N 124.064 0.852 . . . . 0.0 111.738 -177.033 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' HIS . . . . . 0.561 ' NE2' HG23 ' A' ' 22' ' ' VAL . 34.1 m-70 -135.87 33.7 2.91 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.135 -177.426 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' ILE . . . . . 0.417 HG13 ' HB3' ' B' ' 100' ' ' GLU . 71.1 mt -72.05 118.25 65.41 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 114.931 -1.032 . . . . 0.0 112.085 -172.574 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -90.01 116.21 0.62 Allowed 'Trans proline' 0 N--CA 1.45 -1.054 0 C-N-CA 123.188 2.592 . . . . 0.0 110.415 169.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -91.15 135.78 1.88 Allowed 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 122.736 2.291 . . . . 0.0 113.488 -174.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -86.29 120.38 72.22 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 173.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -75.6 52.8 3.39 Favored 'Trans proline' 0 CA--C 1.531 0.339 0 C-N-CA 123.011 2.474 . . . . 0.0 113.902 -173.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 60.71 96.83 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.231 0.612 . . . . 0.0 111.339 175.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 63.2 p-90 . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.939 -0.553 . . . . 0.0 110.39 178.787 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.848 0 N-CA-C 111.585 -0.606 . . . . 0.0 111.585 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 43.8 p-80 -129.81 124.14 32.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.209 0.528 . . . . 0.0 111.104 -178.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 66.6 mtm -135.01 80.16 1.83 Allowed 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 171.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 45.8 m -71.74 84.49 0.9 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.509 -0.769 . . . . 0.0 112.03 -174.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -100.27 -148.77 22.89 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 171.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -111.7 -166.61 1.09 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.775 0.288 . . . . 0.0 110.861 178.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.621 ' HB3' ' HA3' ' A' ' 61' ' ' GLY . 55.0 mttp -65.24 -18.77 65.58 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -171.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.745 ' HD2' HG22 ' A' ' 9' ' ' VAL . 26.2 p-80 -140.72 169.92 16.73 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 176.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.745 HG22 ' HD2' ' A' ' 8' ' ' HIS . 42.8 t 81.67 -37.98 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 N-CA-C 109.001 -0.741 . . . . 0.0 109.001 -178.186 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.0 m -48.63 124.71 8.72 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 163.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 68.3 m80 -59.13 90.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.347 0.594 . . . . 0.0 112.375 -170.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.654 HG22 HD13 ' A' ' 62' ' ' LEU . 20.7 t -53.52 -34.57 23.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 114.737 -1.119 . . . . 0.0 111.768 176.124 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 112.24 36.54 1.61 Allowed Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 110.202 -1.159 . . . . 0.0 110.202 -170.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.591 ' CZ2' ' HA ' ' A' ' 16' ' ' PRO . 55.0 t90 -126.7 129.41 48.37 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.462 -0.369 . . . . 0.0 110.536 -176.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.594 ' HB2' ' HB3' ' A' ' 18' ' ' ASN . 24.1 m-20 -107.88 129.18 24.5 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.615 174.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.591 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 51.2 Cg_exo -54.37 -24.58 35.64 Favored 'Trans proline' 0 N--CA 1.475 0.438 0 C-N-CA 123.835 3.023 . . . . 0.0 114.149 -174.167 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -104.11 -38.5 6.9 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.989 0.423 . . . . 0.0 111.341 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.594 ' HB3' ' HB2' ' A' ' 15' ' ' ASP . 9.0 t30 -86.65 -35.37 19.39 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.844 -172.192 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.16 -165.94 12.58 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.37 -178.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.467 ' HE2' ' HB ' ' A' ' 52' ' ' ILE . 63.3 m-85 -74.82 147.11 41.47 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.79 0.329 . . . . 0.0 110.484 178.562 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -76.53 94.96 3.79 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 174.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.672 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 7.3 p -67.51 -23.96 30.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.165 -0.47 . . . . 0.0 112.093 -170.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -90.34 -5.36 56.32 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.848 0.356 . . . . 0.0 111.056 178.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -121.73 25.08 9.44 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.1 0.476 . . . . 0.0 110.267 172.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.672 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 11.3 mt -66.12 121.62 15.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.432 -179.459 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -56.38 127.95 72.56 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.58 -0.737 . . . . 0.0 109.675 172.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.428 ' O ' ' HB2' ' A' ' 30' ' ' ARG . 65.8 Cg_exo -51.76 -30.98 39.84 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 124.007 3.138 . . . . 0.0 113.766 -175.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.1 -42.92 65.56 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 178.295 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.54 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 82.5 mt -62.96 -40.56 98.05 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.486 174.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.428 ' HB2' ' O ' ' A' ' 27' ' ' PRO . 74.2 mtt180 -51.32 -50.26 59.74 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.21 174.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.548 ' HB3' ' HE3' ' A' ' 69' ' ' MET . 11.1 t -58.59 -49.05 78.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.01 -0.996 . . . . 0.0 110.655 179.463 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.646 HD13 HG12 ' B' ' 79' ' ' VAL . 49.2 tp -65.95 -52.03 53.28 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.294 -173.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.54 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 19.6 m-30 -63.45 -41.51 98.64 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.243 -171.38 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.1 t -62.36 -36.72 83.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.302 0.573 . . . . 0.0 110.294 177.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.8 mtt180 -69.23 -36.07 76.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.896 175.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.01 0.03 29.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.567 -176.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.52 -11.08 71.16 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 121.051 -0.595 . . . . 0.0 111.911 177.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.98 HD12 HD11 ' A' ' 52' ' ' ILE . 41.5 mt -65.16 119.73 10.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 C-N-CA 122.953 0.501 . . . . 0.0 110.869 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.454 ' HB3' ' CB ' ' B' ' 95' ' ' ALA . 44.0 t -99.38 174.9 6.06 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.122 177.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.485 ' HG3' HG23 ' A' ' 22' ' ' VAL . 47.1 tt0 -49.29 -42.15 40.3 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.126 0.489 . . . . 0.0 110.923 178.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.583 ' HB3' HG12 ' B' ' 102' ' ' ILE . . . -57.9 -52.82 63.93 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.172 -179.038 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.705 ' HG3' ' HB3' ' B' ' 95' ' ' ALA . 46.4 mt-30 -59.45 -36.82 76.68 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.887 -178.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.588 HD12 HD12 ' A' ' 25' ' ' LEU . 93.5 mt -68.29 -20.87 64.8 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.794 178.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.8 p -110.66 18.16 19.95 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.471 0.653 . . . . 0.0 110.03 177.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.442 ' CG ' ' HE2' ' B' ' 101' ' ' HIS . 1.4 m-20 -95.79 138.62 33.18 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.938 175.092 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.26 -65.79 0.59 Allowed 'General case' 0 C--N 1.318 -0.795 0 O-C-N 123.501 0.501 . . . . 0.0 111.609 -174.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.86 -41.13 92.05 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.902 -175.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.565 HG23 ' HB3' ' A' ' 42' ' ' GLN . 17.5 m -59.61 -58.02 10.42 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -178.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 92.5 p -62.87 -34.67 77.86 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.792 0.33 . . . . 0.0 110.581 -176.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.526 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 88.6 tttt -57.39 -44.42 84.49 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.199 176.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.747 HD21 HD11 ' B' ' 92' ' ' ILE . 1.7 mm? -75.54 -35.84 60.61 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 179.476 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.98 HD11 HD12 ' A' ' 38' ' ' ILE . 43.9 mt -59.08 -49.8 82.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.824 177.039 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -66.0 -39.64 90.48 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.546 -0.461 . . . . 0.0 110.132 177.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -56.41 -38.8 72.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.306 176.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.612 ' HB2' ' CD2' ' B' ' 86' ' ' HIS . 48.0 t80 -62.58 -50.93 69.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.869 175.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 72.3 mt -62.12 -40.74 88.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.632 -178.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.401 ' HG3' ' CG ' ' A' ' 8' ' ' HIS . 23.7 tt0 -68.39 -35.02 77.07 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.607 178.012 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -63.3 -32.07 73.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.256 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 49.2 mm-40 -81.31 -6.12 58.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.149 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.76 -28.16 6.84 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.001 -178.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.621 ' HA3' ' HB3' ' A' ' 7' ' ' LYS . . . 152.37 -172.05 31.58 Favored Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 120.453 -0.88 . . . . 0.0 112.818 177.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.654 HD13 HG22 ' A' ' 12' ' ' VAL . 8.6 mp -56.82 -54.92 40.92 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 122.788 0.435 . . . . 0.0 111.833 -175.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.677 ' HA ' ' HD3' ' A' ' 66' ' ' ARG . 32.4 mt-10 -63.4 -24.39 67.82 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.134 -175.198 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.91 -49.32 73.14 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.602 -177.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.988 ' HA ' ' HG3' ' A' ' 68' ' ' GLU . 4.1 m -72.48 -21.55 20.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.225 0 CA-C-O 121.269 0.557 . . . . 0.0 110.409 -178.549 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.677 ' HD3' ' HA ' ' A' ' 63' ' ' GLU . 73.8 mtp180 -73.21 -26.0 60.97 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.716 177.346 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.503 ' HG3' ' O ' ' A' ' 63' ' ' GLU . 27.3 mt-30 -81.34 -27.31 35.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.71 176.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.988 ' HG3' ' HA ' ' A' ' 65' ' ' VAL . 6.2 mt-10 -64.4 -24.19 67.55 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 175.236 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.548 ' HE3' ' HB3' ' A' ' 31' ' ' SER . 38.1 mtt -61.19 -33.4 73.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.843 174.329 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -109.46 21.32 17.18 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.301 0.572 . . . . 0.0 109.805 178.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.656 ' HB3' ' HA ' ' A' ' 68' ' ' GLU . 8.2 tmm_? -129.4 -78.68 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.36 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.46 ' HB2' ' O ' ' A' ' 71' ' ' ARG . 58.8 tp60 . . . . . 0 C--O 1.251 1.17 0 CA-C-O 117.996 -1.002 . . . . 0.0 108.685 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.866 0 N-CA-C 111.721 -0.552 . . . . 0.0 111.721 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . 0.991 ' HB2' ' HB2' ' B' ' 81' ' ' GLN . 37.0 m-70 -136.24 173.42 11.73 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 177.128 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' MET . . . . . 0.48 ' C ' HD21 ' B' ' 76' ' ' LEU . 53.1 mtm -80.22 26.6 0.35 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -172.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . 0.53 ' HB2' ' HB3' ' B' ' 81' ' ' GLN . 3.8 mm? -126.86 124.36 24.0 Favored Pre-proline 0 C--N 1.328 -0.368 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 -179.447 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -83.92 20.65 1.16 Allowed 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 122.973 2.449 . . . . 0.0 112.335 -178.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -143.59 -169.65 3.12 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.559 -175.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . 0.646 HG12 HD13 ' A' ' 32' ' ' LEU . 2.6 p -54.63 -17.41 2.13 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 CA-C-N 115.498 -0.773 . . . . 0.0 112.577 178.553 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.84 -38.69 89.15 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -177.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' GLN . . . . . 0.991 ' HB2' ' HB2' ' B' ' 74' ' ' HIS . 6.4 pt20 -71.56 -23.88 61.83 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-O 121.707 0.765 . . . . 0.0 109.484 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . 0.424 ' HG2' ' HE1' ' A' ' 55' ' ' PHE . 64.7 ttt180 -78.21 -15.79 58.47 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.504 -1.226 . . . . 0.0 110.112 -177.73 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . 0.677 HD11 HD11 ' A' ' 38' ' ' ILE . 0.5 OUTLIER -82.43 -40.99 20.44 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.434 -179.813 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 59.6 mtt -57.94 -41.19 82.29 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.003 177.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -60.74 -33.33 72.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.038 178.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . 0.612 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 46.8 t60 -84.02 -18.26 37.7 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.885 -172.102 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.587 HD11 HG13 ' B' ' 92' ' ' ILE . 0.3 OUTLIER -89.56 -37.8 14.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.136 0.493 . . . . 0.0 109.868 173.238 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.65 -14.75 61.85 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.007 -178.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.793 ' HG3' ' CD2' ' B' ' 90' ' ' HIS . 9.5 pt-20 -93.38 -2.64 54.51 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -177.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . 0.793 ' CD2' ' HG3' ' B' ' 89' ' ' GLU . 94.0 m-70 -131.33 23.92 4.82 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -178.641 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.8 39.42 87.43 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.92 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . 0.747 HD11 HD21 ' A' ' 51' ' ' LEU . 29.2 mm -79.88 148.67 5.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 120.745 0.307 . . . . 0.0 110.983 -176.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -87.16 124.8 67.89 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.695 -178.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 94' ' ' PRO . . . . . 0.447 ' HA ' ' NE2' ' A' ' 42' ' ' GLN . 55.0 Cg_endo -88.44 149.44 6.42 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 122.988 2.459 . . . . 0.0 112.233 176.308 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . 0.705 ' HB3' ' HG3' ' A' ' 42' ' ' GLN . . . -99.43 8.36 44.66 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.332 -177.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . 0.442 ' HA ' ' HD3' ' B' ' 96' ' ' ARG . 8.7 mmt180 -79.21 -9.19 59.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.325 0.583 . . . . 0.0 110.117 174.183 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -118.92 163.65 16.6 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.158 -1.052 . . . . 0.0 108.158 169.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 98' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -90.42 132.7 35.47 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.814 0.34 . . . . 0.0 110.736 -174.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 99' ' ' ALA . . . . . 0.627 ' H ' ' HB ' ' B' ' 102' ' ' ILE . . . -142.02 -170.91 3.25 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.196 178.306 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -39.35 -67.93 0.19 Allowed 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -171.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' HIS . . . . . 0.451 ' HE1' ' O ' ' A' ' 41' ' ' ALA . 22.1 p80 -108.02 22.92 15.27 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.855 0.36 . . . . 0.0 110.684 -177.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' ILE . . . . . 0.652 HD11 ' HA ' ' B' ' 95' ' ' ALA . 42.2 mt -98.94 111.36 60.51 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.57 -178.309 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -60.18 120.28 7.96 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 122.688 2.259 . . . . 0.0 111.794 178.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -60.51 114.37 2.1 Favored 'Trans proline' 0 N--CA 1.463 -0.269 0 C-N-CA 122.718 2.278 . . . . 0.0 111.914 -179.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' ALA . . . . . 0.441 ' HA ' ' HD3' ' B' ' 106' ' ' PRO . . . -72.82 121.87 86.13 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.433 179.347 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' B' ' 105' ' ' ALA . 21.8 Cg_exo -65.81 146.82 84.43 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.889 2.393 . . . . 0.0 112.214 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -100.5 25.11 8.06 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.713 178.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 65.7 m95 . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.467 -0.777 . . . . 0.0 109.992 -178.607 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.667 0 N-CA-C 112.021 -0.431 . . . . 0.0 112.021 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -96.19 -42.13 8.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.974 0.416 . . . . 0.0 110.493 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 63.8 mtt -136.57 134.27 37.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.138 178.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.6 p -87.56 127.59 35.26 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.726 0.298 . . . . 0.0 110.57 174.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -144.71 162.99 28.02 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.098 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.405 ' O ' ' HB3' ' A' ' 7' ' ' LYS . 46.8 t80 -109.49 -44.74 3.82 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 -179.454 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.405 ' HB3' ' O ' ' A' ' 6' ' ' PHE . 38.3 ttmt 76.13 136.95 0.06 Allowed 'General case' 0 C--O 1.235 0.323 0 O-C-N 124.153 0.908 . . . . 0.0 111.292 179.042 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 15.0 t-160 -73.62 73.44 1.48 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.122 -0.945 . . . . 0.0 111.253 -179.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.7 t -107.2 82.84 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 107.213 -1.403 . . . . 0.0 107.213 172.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.745 ' HB3' ' OH ' ' A' ' 53' ' ' TYR . 19.4 m -35.9 88.58 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 O-C-N 124.796 1.31 . . . . 0.0 114.349 -164.09 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.5 m80 -152.4 -48.48 0.1 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.528 -1.215 . . . . 0.0 107.892 171.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.717 HG12 HD23 ' A' ' 62' ' ' LEU . 47.1 t 70.4 -21.89 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 CA-C-N 115.111 -0.949 . . . . 0.0 113.441 166.402 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 99.72 19.44 20.02 Favored Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 -171.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 38.3 t90 -108.5 139.35 43.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.619 -0.79 . . . . 0.0 110.462 -177.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.613 ' HB3' ' HB2' ' A' ' 18' ' ' ASN . 15.2 t70 -110.84 137.95 20.97 Favored Pre-proline 0 C--N 1.323 -0.587 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 174.648 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.456 ' HD2' ' CG ' ' A' ' 15' ' ' ASP . 80.4 Cg_exo -28.57 -75.0 0.03 OUTLIER 'Trans proline' 0 CA--C 1.533 0.456 0 C-N-CA 125.228 3.952 . . . . 0.0 115.101 -174.44 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -105.94 -0.82 24.72 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 -179.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.613 ' HB2' ' HB3' ' A' ' 15' ' ' ASP . 47.8 m-80 -90.44 -19.98 23.29 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.764 0.316 . . . . 0.0 111.253 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.795 ' HA3' ' HA ' ' A' ' 44' ' ' THR . . . 91.56 -163.74 28.78 Favored Glycine 0 N--CA 1.442 -0.945 0 C-N-CA 120.61 -0.805 . . . . 0.0 113.434 174.752 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.508 ' HB2' ' HG ' ' A' ' 43' ' ' LEU . 56.9 m-85 -84.74 145.61 27.83 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 179.668 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -74.53 103.38 4.84 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 177.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.633 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 17.5 m -72.03 -4.69 5.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.419 -175.328 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -85.64 -41.11 15.49 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.694 -0.23 . . . . 0.0 110.616 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -110.72 35.63 3.42 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.205 0.526 . . . . 0.0 111.243 177.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.633 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 13.8 mt -65.1 133.75 52.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.835 176.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.406 ' HB3' HD11 ' A' ' 29' ' ' LEU . 12.7 t70 -65.3 133.78 95.58 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.682 173.498 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -49.15 -34.72 31.41 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 124.29 3.327 . . . . 0.0 114.323 -177.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -79.82 -41.01 27.26 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.404 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.447 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 96.1 mt -59.4 -48.24 82.4 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 109.595 -0.521 . . . . 0.0 109.595 172.209 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -53.12 -49.1 67.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.862 178.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.548 ' HB3' ' HE3' ' A' ' 69' ' ' MET . 4.3 t -61.34 -48.21 82.34 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.146 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.657 HD21 ' HB ' ' B' ' 79' ' ' VAL . 61.9 tp -63.2 -55.35 25.8 Favored 'General case' 0 CA--C 1.51 -0.596 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -174.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.45 ' HZ ' HD13 ' A' ' 56' ' ' ILE . 20.1 m-30 -57.46 -46.25 83.87 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.105 -173.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.1 t -62.37 -34.06 75.96 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.733 177.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 35.3 ttt180 -76.67 -28.62 56.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.227 0.537 . . . . 0.0 110.634 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.446 ' HB2' HD12 ' A' ' 38' ' ' ILE . . . -83.84 -10.1 58.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.192 -177.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 113.09 -18.36 21.46 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.232 178.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.939 HG12 HD11 ' A' ' 52' ' ' ILE . 4.2 mp -72.25 121.12 21.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 78.8 p -92.58 178.16 5.89 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 176.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -60.53 -37.72 82.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.327 0.584 . . . . 0.0 109.864 177.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.421 ' HB1' ' CB ' ' B' ' 99' ' ' ALA . . . -65.32 -55.49 17.96 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.606 177.321 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.846 ' HG2' HG23 ' A' ' 48' ' ' THR . 13.2 tt0 -59.99 -33.92 72.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.151 0.5 . . . . 0.0 110.577 -177.681 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.508 ' HG ' ' HB2' ' A' ' 20' ' ' PHE . 23.3 tp -67.26 -17.74 64.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.277 -178.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.795 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 18.9 p -111.82 13.01 20.98 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.99 0.424 . . . . 0.0 110.915 179.25 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.56 151.18 26.52 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.979 174.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.33 -65.57 0.58 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -172.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.514 ' CD ' ' H ' ' A' ' 47' ' ' GLU . 1.0 OUTLIER -74.91 -33.4 62.0 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.337 -173.392 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.846 HG23 ' HG2' ' A' ' 42' ' ' GLN . 7.8 m -60.64 -58.89 6.54 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.488 ' CB ' ' HA2' ' A' ' 19' ' ' GLY . 80.9 p -64.04 -39.73 94.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.258 -173.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -57.07 -39.19 74.48 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.692 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.428 HD12 HD11 ' B' ' 92' ' ' ILE . 29.6 mt -74.71 -39.05 62.16 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.066 178.298 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.939 HD11 HG12 ' A' ' 38' ' ' ILE . 69.5 mt -58.16 -44.63 88.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.794 0.33 . . . . 0.0 111.524 175.159 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.745 ' OH ' ' HB3' ' A' ' 10' ' ' SER . 46.4 t80 -60.57 -48.11 83.2 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.841 0.353 . . . . 0.0 110.724 178.681 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -59.5 -39.7 84.66 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.357 0.599 . . . . 0.0 110.536 174.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.9 ' HE1' ' HG3' ' B' ' 82' ' ' ARG . 51.9 t80 -55.3 -56.85 15.28 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.902 176.472 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.6 HG22 HG22 ' A' ' 65' ' ' VAL . 80.2 mt -57.55 -35.56 50.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.358 -177.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -73.18 -21.01 60.76 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.351 -178.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -69.66 -36.72 76.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.021 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -80.58 -5.89 57.47 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.856 -0.338 . . . . 0.0 111.246 178.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.92 -24.83 8.18 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.51 -0.852 . . . . 0.0 112.305 178.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 145.05 -173.8 25.36 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.089 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.717 HD23 HG12 ' A' ' 12' ' ' VAL . 10.5 mp -64.01 -42.71 97.05 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -174.517 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.8 mp0 -54.36 -44.8 72.49 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.753 0.311 . . . . 0.0 111.2 178.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.44 -42.7 78.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -177.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.6 HG22 HG22 ' A' ' 56' ' ' ILE . 46.3 t -63.04 -38.0 80.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.465 -177.049 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.51 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 50.4 mtp180 -64.5 -28.4 69.63 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.855 179.51 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.427 ' O ' ' HB2' ' A' ' 71' ' ' ARG . 78.4 mt-30 -86.23 -32.58 21.09 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.594 -175.36 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.686 ' HB2' HG23 ' B' ' 79' ' ' VAL . 6.6 mm-40 -47.87 -32.89 6.74 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 123.83 0.706 . . . . 0.0 111.576 -178.498 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.548 ' HE3' ' HB3' ' A' ' 31' ' ' SER . 47.8 mtt -49.89 -38.48 35.94 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.36 -178.587 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.17 27.3 5.38 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.043 -0.981 . . . . 0.0 109.977 -178.348 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.457 ' HB3' ' H ' ' A' ' 72' ' ' GLN . 1.7 ttp180 -120.62 -86.16 0.65 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.246 -177.455 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.457 ' H ' ' HB3' ' A' ' 71' ' ' ARG . 49.2 tp60 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.135 -0.936 . . . . 0.0 111.343 -175.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.612 0 N-CA-C 111.884 -0.486 . . . . 0.0 111.884 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . 0.496 ' HD2' ' HB3' ' B' ' 81' ' ' GLN . 22.8 p-80 -59.16 141.35 54.41 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 110.467 -0.197 . . . . 0.0 110.467 179.29 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' MET . . . . . 0.656 ' HB3' ' HG3' ' B' ' 81' ' ' GLN . 49.0 ttm -40.53 -73.34 0.05 OUTLIER 'General case' 0 N--CA 1.474 0.747 0 O-C-N 124.136 0.898 . . . . 0.0 112.76 -170.663 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . 0.954 ' HB2' ' HB2' ' B' ' 81' ' ' GLN . 3.5 mm? -62.71 130.6 93.84 Favored Pre-proline 0 C--N 1.315 -0.931 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 173.029 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' PRO . . . . . 0.4 ' O ' ' HB2' ' A' ' 72' ' ' GLN . 74.8 Cg_endo -81.07 14.43 2.1 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 122.928 2.418 . . . . 0.0 112.242 -173.338 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -141.18 -168.31 2.59 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.56 -174.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . 0.686 HG23 ' HB2' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -52.3 -27.56 10.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 114.888 -1.051 . . . . 0.0 112.728 178.346 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.428 ' O ' ' HG3' ' B' ' 84' ' ' MET . . . -53.2 -58.72 6.07 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -175.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' GLN . . . . . 0.954 ' HB2' ' HB2' ' B' ' 76' ' ' LEU . 1.2 tm0? -73.6 -26.6 60.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.339 0.59 . . . . 0.0 109.993 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . 0.9 ' HG3' ' HE1' ' A' ' 55' ' ' PHE . 11.1 tpt180 -64.07 -29.95 71.05 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.188 -0.914 . . . . 0.0 109.541 177.425 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . 0.678 ' HG ' ' CE2' ' A' ' 55' ' ' PHE . 1.8 mt -76.13 -45.16 35.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.347 175.43 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' MET . . . . . 0.428 ' HG3' ' O ' ' B' ' 80' ' ' ALA . 63.3 mtt -51.95 -48.68 64.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.913 -178.212 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -67.48 -28.07 67.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.952 179.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . 0.445 ' O ' ' HD2' ' B' ' 90' ' ' HIS . 39.1 t60 -73.59 -28.57 61.9 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.197 -175.603 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.626 HD12 HG13 ' B' ' 92' ' ' ILE . 2.3 mm? -92.11 -46.09 7.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.912 0.387 . . . . 0.0 111.141 177.354 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.24 -31.22 71.02 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -172.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -82.57 2.13 34.68 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -176.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . 0.445 ' HD2' ' O ' ' B' ' 86' ' ' HIS . 96.4 m-70 -125.56 15.68 8.19 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.404 -0.519 . . . . 0.0 111.716 -179.608 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 59.92 38.27 93.87 Favored Glycine 0 C--N 1.329 0.188 0 C-N-CA 120.955 -0.64 . . . . 0.0 112.565 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . 0.626 HG13 HD12 ' B' ' 87' ' ' LEU . 22.5 mm -69.33 146.56 12.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 120.829 0.347 . . . . 0.0 111.351 -177.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -61.8 123.48 77.44 Favored Pre-proline 0 C--N 1.333 -0.151 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.391 178.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 94' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -75.68 150.81 35.81 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 122.338 2.025 . . . . 0.0 112.358 179.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . 0.609 ' HB3' ' HB2' ' A' ' 42' ' ' GLN . . . -74.0 79.68 1.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.867 178.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . 0.456 ' HG3' ' H ' ' B' ' 97' ' ' ASN . 0.6 OUTLIER -170.0 171.59 6.97 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.266 -178.039 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 97' ' ' ASN . . . . . 0.456 ' H ' ' HG3' ' B' ' 96' ' ' ARG . 12.6 m120 68.65 -90.32 0.03 OUTLIER 'General case' 0 C--O 1.233 0.211 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 173.244 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 98' ' ' MET . . . . . . . . . . . . . 23.1 ptm -142.9 126.57 16.98 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.155 0.502 . . . . 0.0 110.758 -174.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 99' ' ' ALA . . . . . 0.421 ' CB ' ' HB1' ' A' ' 41' ' ' ALA . . . -129.18 40.5 3.61 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.71 -178.355 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -79.3 60.04 3.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.6 0.714 . . . . 0.0 110.847 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -99.8 7.15 45.22 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.758 -178.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 66.8 mt -89.32 119.27 69.66 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.51 -176.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -69.1 122.19 9.04 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.768 2.312 . . . . 0.0 111.365 176.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 104' ' ' PRO . . . . . 0.446 ' O ' ' HD3' ' B' ' 106' ' ' PRO . 32.6 Cg_endo -64.47 123.26 11.49 Favored 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 122.545 2.163 . . . . 0.0 112.059 -179.463 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -88.05 106.55 12.45 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.818 176.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 106' ' ' PRO . . . . . 0.446 ' HD3' ' O ' ' B' ' 104' ' ' PRO . 97.1 Cg_endo -88.96 135.85 2.88 Favored 'Trans proline' 0 N--CA 1.453 -0.877 0 C-N-CA 122.906 2.404 . . . . 0.0 113.065 -174.602 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -83.79 125.85 32.34 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.566 174.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 76.8 m95 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.505 -0.76 . . . . 0.0 110.189 -178.55 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.649 0 N-CA-C 111.846 -0.501 . . . . 0.0 111.846 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 33.9 t-80 -80.48 -32.57 37.05 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.014 0.435 . . . . 0.0 110.067 179.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 55.2 ttp -123.41 -38.54 2.54 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.94 176.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.9 p -84.43 145.35 28.21 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.541 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 165.59 -177.55 40.79 Favored Glycine 0 N--CA 1.444 -0.819 0 N-CA-C 111.427 -0.669 . . . . 0.0 111.427 -179.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -104.19 105.42 15.57 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 -179.277 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.7 pttt -71.05 84.1 0.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.953 0.882 . . . . 0.0 111.892 -176.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.539 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 0.9 OUTLIER -151.8 166.88 30.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.169 -1.378 . . . . 0.0 108.707 173.056 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.539 ' HB ' ' O ' ' A' ' 8' ' ' HIS . 14.6 p 164.85 -28.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 177.18 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.571 ' C ' ' H ' ' A' ' 12' ' ' VAL . 50.4 m -57.72 -28.13 63.59 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 113.201 -1.818 . . . . 0.0 112.637 178.258 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.54 ' O ' HG11 ' A' ' 12' ' ' VAL . 39.5 m80 69.23 -8.35 0.72 Allowed 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.35 0.66 . . . . 0.0 110.411 -169.659 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.571 ' H ' ' C ' ' A' ' 10' ' ' SER . 0.8 OUTLIER 59.59 9.34 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 C-N-CA 125.064 1.345 . . . . 0.0 113.162 173.1 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.72 18.51 58.2 Favored Glycine 0 N--CA 1.453 -0.191 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.716 -178.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.56 ' CZ2' ' HA ' ' A' ' 16' ' ' PRO . 64.4 t90 -105.89 135.54 47.14 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.04 0.448 . . . . 0.0 111.34 -178.54 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.671 ' HB3' ' HB2' ' A' ' 18' ' ' ASN . 9.8 t70 -117.42 135.63 23.26 Favored Pre-proline 0 C--N 1.322 -0.592 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 173.279 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.56 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 10.9 Cg_endo -53.63 -29.98 53.35 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 123.602 2.868 . . . . 0.0 113.923 -175.486 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -106.28 -42.3 5.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.661 0.267 . . . . 0.0 111.672 179.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.671 ' HB2' ' HB3' ' A' ' 15' ' ' ASP . 2.7 m-20 -76.82 -26.49 54.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.684 -174.436 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 91.59 -157.56 24.69 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.899 -0.667 . . . . 0.0 111.782 -177.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.615 ' HB2' ' HB3' ' A' ' 43' ' ' LEU . 60.6 m-85 -77.51 122.16 24.86 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 175.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -68.33 105.79 2.27 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 178.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.633 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 17.5 m -69.24 -11.59 15.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.472 -172.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.438 HD21 ' ND2' ' A' ' 24' ' ' ASN . 6.0 t30 -82.74 -39.92 21.23 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.343 0.592 . . . . 0.0 110.21 176.193 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.438 ' ND2' HD21 ' A' ' 23' ' ' ASN . 36.8 m-80 -96.58 16.21 19.45 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.633 -177.661 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.633 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 26.0 mt -66.18 124.35 22.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.006 0.431 . . . . 0.0 111.443 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -64.84 130.23 94.73 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 115.422 -0.808 . . . . 0.0 108.975 172.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -51.78 -29.93 35.95 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 123.774 2.982 . . . . 0.0 113.735 -178.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.654 ' HB3' HH21 ' A' ' 66' ' ' ARG . 32.0 t70 -77.07 -41.51 42.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.891 0.377 . . . . 0.0 110.116 -179.378 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.409 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 96.0 mt -63.4 -47.51 81.7 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 121.172 0.51 . . . . 0.0 109.777 172.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -56.73 -38.92 73.04 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.964 179.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.532 ' HB3' ' HE3' ' A' ' 69' ' ' MET . 7.2 t -56.15 -48.02 77.09 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.091 177.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.493 ' CD1' HG12 ' B' ' 79' ' ' VAL . 61.6 tp -67.05 -51.97 48.02 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.249 -177.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.428 ' HB3' HD22 ' A' ' 43' ' ' LEU . 14.9 m-30 -60.8 -42.59 97.93 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.653 -174.348 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.5 t -65.96 -32.39 73.85 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.461 177.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -76.57 -26.45 55.1 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.437 0.637 . . . . 0.0 110.043 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.17 -3.99 56.08 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.882 179.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.25 -7.54 80.44 Favored Glycine 0 N--CA 1.453 -0.201 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.299 179.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.848 HD12 HD11 ' A' ' 52' ' ' ILE . 20.3 mt -76.06 111.33 12.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 120.955 0.407 . . . . 0.0 110.683 -179.084 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 67.9 p -75.97 167.06 22.57 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.852 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.462 ' HB3' HG13 ' A' ' 22' ' ' VAL . 1.9 mp0 -53.27 -45.69 68.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.074 0.464 . . . . 0.0 110.485 177.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.39 -42.98 99.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.75 179.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.872 ' HG2' HG23 ' A' ' 48' ' ' THR . 41.5 tt0 -62.05 -32.75 73.3 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.339 -178.45 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.637 ' O ' ' HB3' ' A' ' 49' ' ' SER . 68.8 mt -70.17 -17.46 63.17 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.452 178.729 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.1 p -98.78 5.41 47.53 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.107 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -76.06 132.37 40.06 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 170.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -50.75 -57.28 8.74 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.249 0.462 . . . . 0.0 112.249 -172.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -69.75 -44.85 69.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.369 -177.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.872 HG23 ' HG2' ' A' ' 42' ' ' GLN . 9.0 m -53.74 -51.97 61.64 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.786 0.327 . . . . 0.0 111.299 179.261 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.637 ' HB3' ' O ' ' A' ' 43' ' ' LEU . 60.2 p -65.22 -48.7 72.4 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.12 -178.241 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -57.47 -37.67 73.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.682 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.741 ' HA ' ' HB3' ' A' ' 54' ' ' ASP . 35.7 mt -85.39 -15.21 43.85 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -177.423 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.848 HD11 HD12 ' A' ' 38' ' ' ILE . 96.8 mt -78.23 -37.06 21.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 C-N-CA 120.13 -0.628 . . . . 0.0 109.934 167.122 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -65.21 -47.63 76.19 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 173.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.741 ' HB3' ' HA ' ' A' ' 51' ' ' LEU . 1.5 t70 -52.38 -36.95 55.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.482 171.338 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.758 ' HE1' ' HG3' ' B' ' 82' ' ' ARG . 60.3 t80 -66.58 -57.43 7.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.129 -179.578 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 84.6 mt -56.2 -41.31 69.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.423 -179.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -63.56 -50.19 70.46 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.393 -0.822 . . . . 0.0 111.079 175.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -54.21 -34.7 61.22 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.685 177.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.491 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 32.0 mm-40 -70.86 -11.71 61.12 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.929 0.395 . . . . 0.0 110.889 179.678 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 120.17 -0.92 13.07 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.748 -0.739 . . . . 0.0 113.141 178.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 133.79 -179.41 17.49 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.133 -1.032 . . . . 0.0 112.861 176.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 87.7 mt -58.68 -45.56 89.18 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -172.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -67.24 -25.13 65.94 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.327 0.492 . . . . 0.0 112.327 -176.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -56.52 -61.08 2.66 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -170.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.651 ' HB ' HG21 ' B' ' 79' ' ' VAL . 1.4 m -65.02 -26.08 39.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.494 0.664 . . . . 0.0 110.689 -173.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.654 HH21 ' HB3' ' A' ' 28' ' ' ASP . 41.4 mtp180 -73.4 -26.09 60.83 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.03 -177.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -91.84 -22.28 20.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.317 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.72 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 13.6 mt-10 -68.5 -15.59 63.6 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 120.777 0.322 . . . . 0.0 111.122 -179.446 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.532 ' HE3' ' HB3' ' A' ' 31' ' ' SER . 47.6 mtt -61.54 -24.79 66.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.323 0.582 . . . . 0.0 110.026 171.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 64.2 mtp180 -127.07 17.4 7.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.243 -0.889 . . . . 0.0 109.694 -177.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.72 ' HB3' ' HA ' ' A' ' 68' ' ' GLU . 55.5 ttt180 -99.78 -81.31 0.46 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.006 -176.089 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 . . . . . 0 C--O 1.246 0.897 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.229 -178.371 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.602 0 N-CA-C 111.794 -0.522 . . . . 0.0 111.794 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . 0.665 ' HA ' ' OE1' ' B' ' 85' ' ' GLN . 1.9 t60 65.07 27.04 12.56 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 122.951 0.5 . . . . 0.0 110.5 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' MET . . . . . . . . . . . . . 22.1 ptp -177.69 146.07 0.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.509 -177.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . 0.853 ' HB3' ' HG3' ' B' ' 81' ' ' GLN . 13.6 tp -148.39 -76.33 0.02 OUTLIER Pre-proline 0 CA--C 1.546 0.793 0 CA-C-O 118.863 -0.589 . . . . 0.0 111.542 -174.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' PRO . . . . . 0.678 ' HD3' ' HG ' ' B' ' 76' ' ' LEU . 92.5 Cg_endo -84.72 -38.34 0.12 Allowed 'Trans proline' 0 C--N 1.356 0.941 0 CA-C-N 120.992 1.39 . . . . 0.0 112.708 175.465 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -165.92 -166.65 0.96 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.708 -175.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . 0.651 HG21 ' HB ' ' A' ' 65' ' ' VAL . 2.5 p -54.18 -26.88 15.87 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 123.524 0.729 . . . . 0.0 112.572 178.432 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.638 ' O ' ' HG3' ' B' ' 84' ' ' MET . . . -48.3 -45.97 35.59 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -179.055 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' GLN . . . . . 0.853 ' HG3' ' HB3' ' B' ' 76' ' ' LEU . 5.5 mm100 -64.39 -37.03 86.08 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.904 0.383 . . . . 0.0 111.223 -179.678 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . 0.758 ' HG3' ' HE1' ' A' ' 55' ' ' PHE . 0.8 OUTLIER -65.7 -30.47 71.15 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-O 121.562 0.696 . . . . 0.0 109.642 178.529 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . 0.588 HD13 ' CD2' ' A' ' 55' ' ' PHE . 49.8 tp -81.03 -44.74 17.61 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.013 -0.994 . . . . 0.0 111.649 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' MET . . . . . 0.638 ' HG3' ' O ' ' B' ' 80' ' ' ALA . 54.8 mtt -48.36 -55.17 11.43 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 121.314 0.578 . . . . 0.0 110.922 -177.663 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . 0.665 ' OE1' ' HA ' ' B' ' 74' ' ' HIS . 42.3 mt-30 -69.12 -28.97 66.95 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.479 -178.15 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . 0.471 ' O ' ' HD2' ' B' ' 90' ' ' HIS . 44.0 t60 -59.02 -31.97 69.31 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.254 -177.26 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.534 HD11 HG12 ' B' ' 92' ' ' ILE . 1.5 mm? -83.49 -35.71 24.67 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.581 -0.448 . . . . 0.0 110.692 176.76 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.01 -32.15 73.59 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.185 -178.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.592 ' HG3' ' O ' ' B' ' 85' ' ' GLN . 49.4 mt-10 -65.72 -17.66 64.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.784 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . 0.471 ' HD2' ' O ' ' B' ' 86' ' ' HIS . 95.1 m-70 -120.53 4.12 10.68 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -172.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 79.24 32.57 38.52 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 120.701 -0.761 . . . . 0.0 113.624 175.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . 0.654 HD13 HD11 ' A' ' 51' ' ' LEU . 1.4 mp -60.81 145.83 12.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 C-N-CA 122.933 0.493 . . . . 0.0 111.805 175.336 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -66.58 122.82 83.73 Favored Pre-proline 0 C--N 1.333 -0.121 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.97 176.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 94' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -67.83 163.64 34.66 Favored 'Trans proline' 0 C--O 1.236 0.409 0 C-N-CA 122.415 2.077 . . . . 0.0 112.033 176.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.83 77.44 0.87 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.508 -178.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . 0.499 ' HG2' ' HE2' ' B' ' 98' ' ' MET . 12.8 tpt180 -101.53 124.31 46.99 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.896 176.646 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -73.84 113.7 11.29 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.438 0.637 . . . . 0.0 110.078 178.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 98' ' ' MET . . . . . 0.499 ' HE2' ' HG2' ' B' ' 96' ' ' ARG . 64.3 mtt -128.71 1.59 5.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.679 178.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . 65.39 -74.51 0.05 Allowed 'General case' 0 N--CA 1.467 0.421 0 O-C-N 123.941 0.776 . . . . 0.0 111.529 -176.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -81.37 132.45 35.33 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.9 0.381 . . . . 0.0 110.02 -179.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -126.24 31.63 5.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.072 0.463 . . . . 0.0 110.355 -173.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 49.3 mm -104.77 124.24 37.49 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.913 -177.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' PRO . . . . . 0.455 ' HA ' ' HD3' ' B' ' 104' ' ' PRO . 56.9 Cg_endo -73.12 139.27 29.36 Favored 'Trans proline' 0 CA--C 1.532 0.404 0 C-N-CA 122.743 2.296 . . . . 0.0 111.948 176.731 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 104' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' B' ' 103' ' ' PRO . 35.1 Cg_exo -61.62 140.88 89.04 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 123.144 2.563 . . . . 0.0 112.722 -178.504 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 105' ' ' ALA . . . . . 0.434 ' HA ' ' HD3' ' B' ' 106' ' ' PRO . . . -87.2 137.63 32.76 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.536 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 106' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' B' ' 105' ' ' ALA . 13.6 Cg_exo -69.25 -17.02 40.11 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 123.142 2.561 . . . . 0.0 111.868 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -147.77 130.02 15.6 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.442 176.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 5.7 t-105 . . . . . 0 C--O 1.251 1.132 0 N-CA-C 109.082 -0.711 . . . . 0.0 109.082 -179.724 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.646 0 N-CA-C 112.719 -0.152 . . . . 0.0 112.719 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -92.52 69.57 4.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.993 0.425 . . . . 0.0 110.805 -177.452 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 64.8 mtt -99.64 98.27 9.15 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 176.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.0 t 74.75 162.02 0.25 Allowed 'General case' 0 C--O 1.236 0.386 0 O-C-N 124.014 0.821 . . . . 0.0 110.518 -176.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -149.45 113.07 0.58 Allowed Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.904 -0.665 . . . . 0.0 111.846 -178.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -70.64 103.43 2.53 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.862 0.363 . . . . 0.0 110.375 177.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -127.04 31.24 5.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.342 0.592 . . . . 0.0 109.976 178.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.79 ' HD1' ' HH ' ' A' ' 53' ' ' TYR . 24.3 t60 -77.54 98.1 5.25 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.339 178.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.5 p -135.51 150.73 29.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.629 176.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 63.1 m 69.76 2.32 3.78 Favored 'General case' 0 CA--C 1.529 0.17 0 O-C-N 123.436 0.46 . . . . 0.0 111.618 177.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 76.6 m80 62.26 5.28 1.48 Allowed 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 122.967 0.507 . . . . 0.0 111.111 -175.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.53 HG21 ' HE1' ' A' ' 53' ' ' TYR . 15.8 t 61.32 6.02 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 123.676 0.79 . . . . 0.0 111.807 179.16 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 64.77 32.06 82.97 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.727 -0.749 . . . . 0.0 111.369 -174.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.518 ' CZ2' ' HA ' ' A' ' 16' ' ' PRO . 56.4 t90 -111.71 138.29 48.47 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.218 0.532 . . . . 0.0 111.477 -176.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.405 ' HB3' ' HB2' ' A' ' 18' ' ' ASN . 12.2 t70 -120.76 132.18 24.25 Favored Pre-proline 0 C--N 1.323 -0.545 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 172.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.518 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 9.3 Cg_endo -52.08 -29.77 37.98 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 123.918 3.079 . . . . 0.0 114.137 -175.029 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -105.38 -42.5 5.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.796 0.331 . . . . 0.0 111.539 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.405 ' HB2' ' HB3' ' A' ' 15' ' ' ASP . 36.2 m-80 -84.06 -12.72 54.68 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -173.426 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.789 ' HA3' ' HA ' ' A' ' 44' ' ' THR . . . 86.42 -161.85 34.32 Favored Glycine 0 N--CA 1.442 -0.93 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.792 177.427 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.5 ' HB2' ' HG ' ' A' ' 43' ' ' LEU . 55.5 m-85 -81.44 143.96 31.74 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 178.195 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -70.26 101.83 1.98 Allowed 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 176.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.65 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 16.4 m -68.24 -14.02 17.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -174.334 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -88.6 -39.61 13.97 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.271 0.558 . . . . 0.0 109.878 176.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -97.73 29.91 3.18 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.337 179.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.65 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 7.1 mt -66.86 133.43 50.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.604 -178.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.518 ' HB3' ' HB2' ' A' ' 29' ' ' LEU . 11.2 t70 -59.9 132.47 89.43 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.21 -0.904 . . . . 0.0 109.639 173.414 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -51.54 -31.71 40.75 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 123.9 3.067 . . . . 0.0 113.755 -176.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -84.6 -45.15 12.82 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.518 ' HB2' ' HB3' ' A' ' 26' ' ' ASP . 6.9 mp -49.76 -52.78 29.24 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 120.736 0.303 . . . . 0.0 111.25 171.053 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -56.11 -43.07 77.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.224 -178.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.648 ' HB3' ' HE3' ' A' ' 69' ' ' MET . 3.5 t -67.29 -46.6 73.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.347 0.594 . . . . 0.0 110.388 179.529 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.797 HD21 HG11 ' B' ' 79' ' ' VAL . 2.5 tm? -62.64 -55.2 29.2 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.388 -175.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.629 ' HB3' ' HB ' ' A' ' 38' ' ' ILE . 18.2 m-85 -59.71 -33.37 71.51 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.534 -178.357 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.4 t -66.29 -31.16 71.8 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.187 178.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -79.53 -40.96 28.35 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.413 0.625 . . . . 0.0 110.13 175.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.524 ' HB2' ' CD1' ' A' ' 38' ' ' ILE . . . -70.32 -16.7 63.03 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.889 -1.051 . . . . 0.0 111.606 -175.015 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 106.66 -3.15 36.44 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.849 174.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.629 ' HB ' ' HB3' ' A' ' 33' ' ' PHE . 5.0 mp -75.78 115.85 17.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.878 0.371 . . . . 0.0 110.416 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.8 t -91.87 164.96 13.48 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 174.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -48.23 -47.23 35.95 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 122.738 0.415 . . . . 0.0 111.84 -175.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.484 ' O ' ' HE1' ' B' ' 101' ' ' HIS . . . -59.61 -53.05 62.53 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-O 120.873 0.368 . . . . 0.0 110.78 178.228 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.982 ' HG2' HG23 ' A' ' 48' ' ' THR . 21.8 tt0 -55.35 -38.8 69.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.585 0.707 . . . . 0.0 110.182 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.57 HD23 HD23 ' A' ' 25' ' ' LEU . 30.8 tp -71.37 -13.04 61.73 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.169 -177.768 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.789 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 22.9 p -118.16 20.01 13.34 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.91 -179.486 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -90.67 150.15 21.78 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.23 173.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.85 -63.41 1.16 Allowed 'General case' 0 C--O 1.237 0.429 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -171.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -75.05 -36.95 61.8 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.674 -174.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.982 HG23 ' HG2' ' A' ' 42' ' ' GLN . 17.8 m -61.39 -56.57 18.85 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.832 -176.052 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.561 ' CB ' ' HA2' ' A' ' 19' ' ' GLY . 77.9 p -60.69 -40.54 92.56 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.068 0.461 . . . . 0.0 110.969 -176.548 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.615 ' HB2' ' HZ2' ' A' ' 50' ' ' LYS . 4.4 ttmp? -62.65 -42.53 99.66 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.494 -179.576 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.864 HD12 HD11 ' B' ' 92' ' ' ILE . 45.5 mt -74.74 -31.01 61.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.343 179.176 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.64 ' O ' ' HB3' ' A' ' 55' ' ' PHE . 57.4 mt -62.6 -45.47 98.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.757 172.722 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.79 ' HH ' ' HD1' ' A' ' 8' ' ' HIS . 87.8 t80 -67.34 -39.56 85.79 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.237 -0.585 . . . . 0.0 110.037 177.297 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -57.67 -37.0 72.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.39 0.614 . . . . 0.0 109.953 174.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.64 ' HB3' ' O ' ' A' ' 52' ' ' ILE . 50.1 t80 -59.46 -54.28 48.49 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.437 174.176 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.475 HG12 HG22 ' A' ' 65' ' ' VAL . 69.9 mt -56.68 -42.37 76.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.294 -0.867 . . . . 0.0 110.742 -179.432 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -57.11 -51.51 69.02 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.872 173.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -59.32 -31.1 68.86 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.183 -177.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.579 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 24.0 mm-40 -71.97 -14.99 62.06 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.154 0.502 . . . . 0.0 110.854 -178.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.18 9.4 8.77 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.241 -177.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 114.11 -178.11 18.08 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.708 176.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 29.0 tp -60.55 -38.46 84.55 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.984 0.365 . . . . 0.0 111.984 -174.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -66.06 -32.22 73.57 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.745 0.276 . . . . 0.0 111.745 -177.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.526 ' O ' ' HG3' ' A' ' 68' ' ' GLU . . . -60.94 -55.83 28.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.507 -174.454 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.475 HG22 HG12 ' A' ' 56' ' ' ILE . 43.4 t -60.71 -34.54 59.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.38 0.61 . . . . 0.0 110.898 -173.124 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 67.8 mtp180 -66.42 -32.46 73.86 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.027 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -94.18 -28.05 15.86 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.079 -0.51 . . . . 0.0 112.292 -174.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 1.042 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 26.3 mt-10 -62.85 -17.03 60.86 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 121.187 -0.205 . . . . 0.0 111.475 -176.54 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.766 ' HA ' ' HB2' ' B' ' 78' ' ' ASP . 43.4 mtt -52.22 -37.4 54.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.374 0.607 . . . . 0.0 110.873 172.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -120.3 14.8 12.15 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.401 -179.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 1.042 ' HB3' ' HA ' ' A' ' 68' ' ' GLU . 4.4 tmt_? -105.64 -54.39 2.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.293 -178.271 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.231 0 O-C-N 124.092 0.87 . . . . 0.0 109.85 -175.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.75 0 N-CA-C 112.253 -0.339 . . . . 0.0 112.253 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . 0.489 ' HB2' ' HB2' ' B' ' 81' ' ' GLN . 66.3 m-70 -78.27 142.16 38.02 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 175.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' MET . . . . . . . . . . . . . 75.1 mmm -84.36 64.47 8.37 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.421 0.629 . . . . 0.0 111.415 -174.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . 0.875 ' HB2' ' HB3' ' B' ' 81' ' ' GLN . 54.4 mt -121.68 139.31 29.78 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.433 175.373 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -90.95 20.31 0.98 Allowed 'Trans proline' 0 N--CA 1.454 -0.823 0 C-N-CA 122.956 2.437 . . . . 0.0 113.438 -173.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' ASP . . . . . 0.766 ' HB2' ' HA ' ' A' ' 69' ' ' MET . 3.9 p30 -154.87 -168.57 2.93 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.683 0.278 . . . . 0.0 111.257 -178.583 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . 0.797 HG11 HD21 ' A' ' 32' ' ' LEU . 3.0 p -65.89 -16.22 20.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -174.317 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.85 -45.03 63.86 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' GLN . . . . . 0.875 ' HB3' ' HB2' ' B' ' 76' ' ' LEU . 2.8 pt20 -62.05 -31.08 71.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.42 0.628 . . . . 0.0 110.484 -178.741 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.96 -19.02 62.6 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 114.817 -1.083 . . . . 0.0 110.748 -174.285 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . 0.603 HD11 HD11 ' A' ' 38' ' ' ILE . 0.5 OUTLIER -85.58 -36.72 20.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.684 -176.924 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' MET . . . . . 0.435 ' HB2' ' CD2' ' B' ' 74' ' ' HIS . 62.9 mtt -56.25 -42.07 76.79 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.814 178.473 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -62.69 -50.99 68.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.07 178.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 41.4 t60 -62.54 -26.24 68.46 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.708 -171.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.532 HD22 HG13 ' B' ' 92' ' ' ILE . 84.1 mt -87.33 -49.95 6.9 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.933 0.397 . . . . 0.0 110.627 177.278 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.2 -31.95 70.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.389 -176.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -71.01 -20.34 62.41 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -174.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -101.92 -61.1 1.43 Allowed 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -172.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 142.99 64.22 0.02 OUTLIER Glycine 0 N--CA 1.453 -0.207 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -174.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . 0.864 HD11 HD12 ' A' ' 51' ' ' LEU . 4.7 mm -90.52 148.14 4.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -170.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.84 102.88 7.66 Favored Pre-proline 0 C--O 1.233 0.195 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.6 174.386 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 94' ' ' PRO . . . . . 0.681 ' HA ' ' HG3' ' A' ' 42' ' ' GLN . 7.1 Cg_exo -73.41 164.98 33.7 Favored 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 123.111 2.541 . . . . 0.0 112.61 -178.619 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . 0.58 ' HB2' ' HB2' ' A' ' 42' ' ' GLN . . . -73.91 8.74 1.84 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.507 -178.137 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -125.39 84.61 2.3 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.231 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 97' ' ' ASN . . . . . 0.431 ' OD1' ' HG3' ' B' ' 98' ' ' MET . 3.9 p30 -173.05 -37.2 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 178.213 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 98' ' ' MET . . . . . 0.431 ' HG3' ' OD1' ' B' ' 97' ' ' ASN . 90.3 mtp -133.35 133.57 42.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.607 175.391 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -88.12 112.19 22.42 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 177.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 69.93 137.46 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.254 0 O-C-N 124.036 0.835 . . . . 0.0 110.11 -175.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' HIS . . . . . 0.484 ' HE1' ' O ' ' A' ' 41' ' ' ALA . 31.5 m170 -78.3 82.69 4.59 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.498 0.666 . . . . 0.0 110.885 -176.432 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 49.0 mm -79.66 123.96 83.83 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.712 175.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -61.44 119.35 6.44 Favored 'Trans proline' 0 C--O 1.236 0.421 0 C-N-CA 122.602 2.201 . . . . 0.0 112.045 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 104' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -64.28 126.3 16.78 Favored 'Trans proline' 0 C--O 1.236 0.407 0 C-N-CA 123.152 2.568 . . . . 0.0 112.187 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.33 131.22 66.26 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.097 178.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 106' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -74.47 64.65 5.55 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.971 2.447 . . . . 0.0 111.484 178.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -83.55 54.26 2.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.958 -177.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 31.1 p90 . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.373 -0.823 . . . . 0.0 109.921 176.771 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.736 0 N-CA-C 111.871 -0.492 . . . . 0.0 111.871 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -82.5 61.17 5.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.819 0.31 . . . . 0.0 110.941 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.2 mpt? 54.66 61.54 2.94 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.328 0.585 . . . . 0.0 110.601 179.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.2 p -75.65 92.95 3.0 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.783 178.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 114.31 165.49 15.37 Favored Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 111.344 -0.702 . . . . 0.0 111.344 -176.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.565 ' CE1' ' HD2' ' A' ' 66' ' ' ARG . 3.4 p90 -71.62 -9.71 58.66 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.764 0.282 . . . . 0.0 111.386 -179.21 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 1.029 ' HD3' ' HG3' ' A' ' 63' ' ' GLU . 12.2 tppt? 46.09 -91.53 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.219 1.008 . . . . 0.0 112.93 168.303 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -155.57 60.43 0.62 Allowed 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 176.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.465 HG22 ' O ' ' A' ' 6' ' ' PHE . 57.8 t -77.81 -16.42 14.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-O 121.701 0.762 . . . . 0.0 109.071 179.406 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.6 m 66.57 19.5 10.84 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 114.421 -1.263 . . . . 0.0 111.044 176.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 49.5 m170 -99.89 -50.69 3.93 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 173.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.797 HG23 HD23 ' A' ' 62' ' ' LEU . 2.9 t 58.47 5.54 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 CA-C-N 114.867 -1.061 . . . . 0.0 113.543 167.665 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 66.98 28.81 73.94 Favored Glycine 0 C--N 1.33 0.229 0 C-N-CA 120.483 -0.865 . . . . 0.0 110.997 -171.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.42 ' CZ2' ' HA ' ' A' ' 16' ' ' PRO . 70.0 t90 -116.16 142.04 47.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.377 -0.412 . . . . 0.0 111.242 -172.667 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -122.62 133.25 24.33 Favored Pre-proline 0 C--N 1.325 -0.492 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 174.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.42 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 10.1 Cg_endo -52.03 -27.37 28.53 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 123.642 2.895 . . . . 0.0 114.459 -175.567 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -104.83 -52.78 2.8 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.719 -0.392 . . . . 0.0 111.676 179.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -74.82 -17.78 60.56 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.635 -173.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.6 -157.03 26.2 Favored Glycine 0 N--CA 1.441 -0.996 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.959 176.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.428 ' HB3' HD23 ' A' ' 25' ' ' LEU . 94.4 m-85 -78.56 139.55 38.6 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.372 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -74.21 105.56 5.45 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 176.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.643 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 17.8 m -74.7 -3.26 4.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.495 -172.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -90.69 -32.95 15.98 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.944 0.402 . . . . 0.0 109.977 175.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -113.0 33.45 5.04 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.405 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.643 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 19.7 mt -69.38 123.31 20.9 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.615 175.292 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -63.55 140.43 97.76 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.934 177.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -41.14 -53.53 2.97 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 124.202 3.268 . . . . 0.0 114.004 -175.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.69 -49.44 73.14 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.708 -176.637 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.483 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 90.1 mt -56.15 -46.77 79.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.088 0.47 . . . . 0.0 110.569 175.492 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -34.78 76.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.232 -177.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.526 ' HB3' ' HE2' ' A' ' 69' ' ' MET . 7.3 t -67.8 -51.6 46.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.826 175.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.773 HD12 HG12 ' B' ' 79' ' ' VAL . 50.0 tp -57.49 -57.26 13.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.961 -1.018 . . . . 0.0 112.582 -175.236 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.483 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 20.3 m-85 -59.43 -38.42 80.62 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.914 -170.662 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.7 t -66.03 -36.57 83.61 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.835 178.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.521 ' HB3' ' HG ' ' B' ' 76' ' ' LEU . 99.3 mtt180 -67.75 -39.41 84.21 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.4 0.619 . . . . 0.0 110.327 176.289 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.537 ' HB1' ' HB3' ' B' ' 83' ' ' LEU . . . -70.88 -11.27 60.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.769 -174.338 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.88 -1.51 58.0 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.794 178.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.849 HD12 HD11 ' A' ' 52' ' ' ILE . 8.6 mt -79.7 104.91 8.41 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.683 0 CA-C-O 120.977 0.418 . . . . 0.0 110.322 179.011 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.7 t -68.04 159.36 30.96 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.114 175.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -53.21 -38.52 62.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.913 0.387 . . . . 0.0 111.066 178.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.51 -41.13 98.53 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.09 0.471 . . . . 0.0 110.634 177.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 1.121 ' HG2' HG23 ' A' ' 48' ' ' THR . 8.5 tt0 -65.73 -28.23 68.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.64 -178.707 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 84.1 mt -70.79 -17.78 62.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.901 176.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 38.2 p -108.04 12.46 26.88 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.771 178.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.541 ' OD2' ' HA ' ' A' ' 42' ' ' GLN . 17.8 m-20 -89.84 135.06 33.86 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.91 172.651 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.48 -69.51 0.12 Allowed 'General case' 0 C--O 1.237 0.415 0 N-CA-C 113.326 0.862 . . . . 0.0 113.326 -169.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -62.97 -37.26 86.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.927 0.394 . . . . 0.0 110.817 -173.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 1.121 HG23 ' HG2' ' A' ' 42' ' ' GLN . 19.2 m -61.38 -55.93 26.02 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.031 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.0 t -61.51 -41.88 97.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.342 -173.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.411 ' HA ' ' HZ2' ' A' ' 14' ' ' TRP . 85.6 tttt -65.35 -38.35 89.83 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.599 -179.087 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.488 ' HA ' ' HB3' ' A' ' 54' ' ' ASP . 62.5 mt -75.36 -25.97 58.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.246 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.849 HD11 HD12 ' A' ' 38' ' ' ILE . 57.0 mt -65.65 -43.68 93.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 CA-C-O 121.006 0.432 . . . . 0.0 110.321 170.193 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.508 ' HE1' HG21 ' A' ' 12' ' ' VAL . 88.4 t80 -65.96 -43.33 88.26 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 177.022 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.488 ' HB3' ' HA ' ' A' ' 51' ' ' LEU . 8.6 t70 -54.74 -35.09 63.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.418 173.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.846 ' HE1' ' HG3' ' B' ' 82' ' ' ARG . 35.4 t80 -66.11 -51.8 54.57 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.84 -1.073 . . . . 0.0 110.802 176.681 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 88.0 mt -57.99 -43.45 84.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.507 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -54.64 -52.59 61.81 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.617 172.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -56.82 -31.81 65.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.135 -0.939 . . . . 0.0 112.201 -178.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 85.1 mm-40 -78.89 -11.32 59.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.84 0.353 . . . . 0.0 111.416 -178.552 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.67 0.72 15.47 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.356 178.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 117.87 -165.14 12.65 Favored Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 120.862 -0.685 . . . . 0.0 111.766 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.797 HD23 HG23 ' A' ' 12' ' ' VAL . 9.1 mp -78.37 -44.52 24.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 117.147 0.473 . . . . 0.0 111.597 -170.001 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 1.029 ' HG3' ' HD3' ' A' ' 7' ' ' LYS . 11.1 mm-40 -60.15 -38.06 82.0 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.158 -177.461 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.568 ' O ' ' HG2' ' A' ' 68' ' ' GLU . . . -57.55 -52.92 63.42 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.239 179.076 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.452 ' CG1' HD21 ' A' ' 32' ' ' LEU . 87.6 t -58.39 -38.81 71.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.176 -176.254 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.565 ' HD2' ' CE1' ' A' ' 6' ' ' PHE . 69.9 mtp180 -61.16 -34.73 75.49 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.855 179.091 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -94.77 -20.83 19.16 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.965 -173.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.662 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 27.8 mm-40 -56.4 -24.48 45.03 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 120.72 0.295 . . . . 0.0 110.775 179.221 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.634 ' HA ' ' HB2' ' B' ' 78' ' ' ASP . 51.2 mtt -57.82 -25.19 60.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.341 178.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -126.44 13.75 7.63 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.812 178.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.662 ' HB3' ' HA ' ' A' ' 68' ' ' GLU . 3.5 tmt_? -123.62 -55.37 1.73 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.065 -173.581 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.43 HE22 ' HB2' ' B' ' 82' ' ' ARG . 45.3 tt0 . . . . . 0 C--O 1.246 0.906 0 CA-C-O 118.542 -0.742 . . . . 0.0 110.521 -177.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.81 0 N-CA-C 111.813 -0.515 . . . . 0.0 111.813 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . 0.928 ' HB2' ' HB2' ' B' ' 81' ' ' GLN . 86.4 m-70 -129.28 -79.16 0.56 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 178.174 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' MET . . . . . 0.438 ' H ' ' HB2' ' B' ' 81' ' ' GLN . 26.5 mmt -129.99 -84.2 0.54 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.949 0.404 . . . . 0.0 110.467 179.718 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . 0.521 ' HG ' ' HB3' ' A' ' 35' ' ' ARG . 2.7 mm? -59.76 147.92 77.18 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.449 176.545 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -83.14 28.63 0.57 Allowed 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 123.094 2.529 . . . . 0.0 113.019 -173.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' ASP . . . . . 0.634 ' HB2' ' HA ' ' A' ' 69' ' ' MET . 3.6 p30 -153.65 -168.1 2.88 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.276 -178.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . 0.773 HG12 HD12 ' A' ' 32' ' ' LEU . 2.3 p -53.68 -25.31 11.32 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 O-C-N 123.589 0.556 . . . . 0.0 112.367 -178.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.601 ' HB1' HD13 ' A' ' 32' ' ' LEU . . . -55.42 -27.61 48.93 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' GLN . . . . . 0.928 ' HB2' ' HB2' ' B' ' 74' ' ' HIS . 3.2 pt20 -70.38 -32.98 70.87 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.477 0.656 . . . . 0.0 110.368 179.304 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . 0.846 ' HG3' ' HE1' ' A' ' 55' ' ' PHE . 5.7 tpm_? -76.19 -24.18 54.72 Favored 'General case' 0 N--CA 1.436 -1.145 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.255 -175.285 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . 0.586 ' HG ' ' CE2' ' A' ' 55' ' ' PHE . 0.6 OUTLIER -74.23 -43.26 57.78 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.84 -1.073 . . . . 0.0 110.48 179.858 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 64.4 mtt -53.24 -50.22 65.22 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 121.347 0.594 . . . . 0.0 110.507 -178.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . 0.631 ' O ' ' HG3' ' B' ' 89' ' ' GLU . 21.7 mm-40 -64.07 -48.73 75.08 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.54 -179.237 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . 0.423 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 65.9 t60 -56.05 -33.81 65.31 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.866 -172.353 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.514 HD22 HG12 ' B' ' 92' ' ' ILE . 75.2 mt -80.41 -52.09 8.07 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.115 0.483 . . . . 0.0 110.59 179.178 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.43 -25.02 64.0 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.573 -177.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.631 ' HG3' ' O ' ' B' ' 85' ' ' GLN . 46.4 mt-10 -64.73 -23.99 67.42 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -104.58 -74.2 0.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.562 -0.455 . . . . 0.0 112.005 -174.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 162.75 44.65 0.02 OUTLIER Glycine 0 C--O 1.229 -0.156 0 C-N-CA 120.386 -0.912 . . . . 0.0 112.622 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . 0.541 HG22 ' OG1' ' A' ' 48' ' ' THR . 1.7 mp -60.73 135.91 24.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.216 0.531 . . . . 0.0 112.17 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -90.24 100.14 2.42 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 171.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 94' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -83.77 109.49 1.53 Allowed 'Trans proline' 0 N--CA 1.455 -0.754 0 C-N-CA 121.936 1.757 . . . . 0.0 115.053 -164.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . 0.552 ' HB2' ' HB2' ' A' ' 42' ' ' GLN . . . 65.04 -69.03 0.1 Allowed 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 115.197 1.555 . . . . 0.0 115.197 162.313 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . 0.537 ' HB2' ' O ' ' B' ' 95' ' ' ALA . 36.7 mmt180 78.05 -16.44 0.66 Allowed 'General case' 0 C--N 1.32 -0.711 0 O-C-N 124.439 1.087 . . . . 0.0 110.275 -168.393 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 97' ' ' ASN . . . . . 0.439 ' H ' ' C ' ' B' ' 95' ' ' ALA . 28.4 t-20 72.18 -41.41 0.5 Allowed 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.053 0.941 . . . . 0.0 112.55 174.53 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 98' ' ' MET . . . . . . . . . . . . . 21.4 mmt -70.73 149.54 46.82 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 177.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -82.9 62.6 6.56 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.298 0.571 . . . . 0.0 110.918 -177.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -73.46 -23.34 60.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.573 176.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 14.9 m80 -82.07 107.11 14.52 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 170.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' ILE . . . . . 0.41 ' HA ' ' HD3' ' B' ' 103' ' ' PRO . 32.8 pt -64.6 119.99 61.86 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-O 121.206 0.527 . . . . 0.0 111.664 -172.429 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' B' ' 102' ' ' ILE . 29.3 Cg_exo -62.42 125.09 15.47 Favored 'Trans proline' 0 C--O 1.236 0.379 0 C-N-CA 122.929 2.419 . . . . 0.0 111.671 177.135 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 104' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -58.72 150.95 67.15 Favored 'Trans proline' 0 C--O 1.236 0.404 0 C-N-CA 123.146 2.564 . . . . 0.0 112.183 -179.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.37 123.43 73.41 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.602 178.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 106' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -64.62 129.52 23.87 Favored 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 122.782 2.321 . . . . 0.0 112.699 -177.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -90.02 26.72 1.77 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.606 178.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 18.0 t90 . . . . . 0 C--O 1.25 1.085 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.959 -178.133 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.704 0 N-CA-C 111.847 -0.501 . . . . 0.0 111.847 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 9.7 p-80 -95.83 100.39 12.09 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.361 0.601 . . . . 0.0 110.947 -178.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 66.0 mtt -96.15 -70.27 0.72 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.576 176.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.0 p 171.51 -39.94 0.0 OUTLIER 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.121 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 107.7 -19.05 34.02 Favored Glycine 0 N--CA 1.449 -0.49 0 N-CA-C 110.028 -1.229 . . . . 0.0 110.028 -173.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.408 ' HA ' ' O ' ' A' ' 60' ' ' GLY . 74.2 t80 -80.43 93.88 6.09 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 114.586 -0.807 . . . . 0.0 110.076 178.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.554 ' HD3' ' OE2' ' A' ' 57' ' ' GLU . 35.9 ttpt 68.88 159.16 0.17 Allowed 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.933 -179.231 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.449 ' N ' ' HG2' ' A' ' 7' ' ' LYS . 76.4 m-70 -134.54 161.26 35.57 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 175.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 29.7 m -86.93 -18.76 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.383 -162.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.2 m -70.51 -5.54 29.63 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.487 176.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 63.0 m80 62.68 22.42 13.33 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.377 -0.829 . . . . 0.0 108.955 -169.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.511 HG22 HD11 ' A' ' 62' ' ' LEU . 21.3 t 63.66 -74.42 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 CA-C-N 114.387 -1.279 . . . . 0.0 111.884 -179.269 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -171.07 25.71 0.1 OUTLIER Glycine 0 N--CA 1.448 -0.534 0 N-CA-C 110.363 -1.095 . . . . 0.0 110.363 177.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.469 ' CZ2' ' HA ' ' A' ' 16' ' ' PRO . 71.7 t90 -110.25 135.78 50.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.318 -0.441 . . . . 0.0 111.288 -174.102 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -116.38 133.6 22.95 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.586 -0.733 . . . . 0.0 109.691 173.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.469 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 81.0 Cg_exo -43.7 -39.86 10.51 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 124.76 3.64 . . . . 0.0 115.066 -175.162 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -105.61 -28.98 10.43 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -176.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -97.12 -16.29 20.54 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -171.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 86.82 -162.41 34.18 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.59 177.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -78.78 151.06 32.2 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.422 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 31.2 t70 -86.2 114.21 22.84 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 171.233 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.63 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 17.0 m -78.05 -2.92 5.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.63 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.966 -173.347 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -87.61 -47.93 8.3 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.138 175.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.402 HD21 ' HA ' ' A' ' 24' ' ' ASN . 9.0 m120 -99.1 45.96 0.99 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.08 0.467 . . . . 0.0 110.731 176.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.63 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 13.2 mt -81.59 122.33 27.45 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.564 175.726 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -53.04 129.58 49.0 Favored Pre-proline 0 C--N 1.328 -0.328 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 174.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -49.73 -34.23 34.86 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 124.092 3.195 . . . . 0.0 114.051 -174.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.477 ' CG ' ' HE ' ' A' ' 66' ' ' ARG . 1.0 OUTLIER -75.23 -44.82 44.06 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 179.372 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.48 HD22 HD22 ' A' ' 62' ' ' LEU . 94.9 mt -58.45 -46.51 86.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.955 0.407 . . . . 0.0 109.983 175.64 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.8 ttp180 -60.38 -41.14 93.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.592 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.669 ' HB3' ' HE2' ' A' ' 69' ' ' MET . 22.6 t -57.65 -49.39 76.62 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.208 0.528 . . . . 0.0 109.917 176.124 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.451 HD21 HG21 ' B' ' 79' ' ' VAL . 11.6 tp -62.48 -59.75 4.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.37 -0.832 . . . . 0.0 112.174 -177.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.45 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 9.5 m-30 -60.54 -33.75 73.12 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.593 -170.455 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.1 t -66.43 -36.47 82.87 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.721 177.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -68.98 -34.09 74.75 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.131 0.491 . . . . 0.0 110.474 176.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.01 -15.04 60.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.797 -175.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.02 -2.66 59.96 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.186 178.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.737 HD12 HD11 ' A' ' 52' ' ' ILE . 5.3 mt -74.85 112.06 11.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 177.376 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.4 t -90.16 174.82 7.41 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.583 -177.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.476 ' HA ' HG11 ' A' ' 22' ' ' VAL . 1.7 mp0 -52.0 -48.17 64.58 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.936 0.398 . . . . 0.0 111.365 -176.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.89 -36.65 81.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.205 0.526 . . . . 0.0 111.038 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.792 ' HG3' HG23 ' A' ' 48' ' ' THR . 3.8 tp60 -77.41 -27.32 52.29 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.636 -176.556 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.0 mt -74.82 -14.21 60.66 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.402 174.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.8 p -107.84 11.86 27.75 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 121.858 0.837 . . . . 0.0 109.423 178.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.591 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 34.0 t70 -80.43 163.23 23.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.422 175.421 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.46 -69.78 0.51 Allowed 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 -175.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -73.53 -36.12 65.64 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.771 -176.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.792 HG23 ' HG3' ' A' ' 42' ' ' GLN . 20.9 m -54.51 -50.33 68.08 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 111.76 0.281 . . . . 0.0 111.76 176.639 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 92.7 p -70.3 -39.71 74.67 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 120.873 -0.331 . . . . 0.0 111.557 -173.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -58.65 -43.42 89.81 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.956 -176.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.648 HD13 HG13 ' B' ' 92' ' ' ILE . 45.1 mt -66.45 -34.45 77.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.403 -178.383 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.737 HD11 HD12 ' A' ' 38' ' ' ILE . 34.2 mt -62.89 -45.22 99.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.144 176.147 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -63.43 -43.62 96.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.227 0.537 . . . . 0.0 109.918 178.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.36 -43.51 92.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.79 174.006 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.689 ' HE1' ' HG3' ' B' ' 82' ' ' ARG . 41.5 t80 -56.19 -46.84 79.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.01 176.161 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.655 HG21 HD21 ' A' ' 62' ' ' LEU . 96.5 mt -61.07 -43.83 97.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.068 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.554 ' OE2' ' HD3' ' A' ' 7' ' ' LYS . 40.4 tt0 -64.64 -37.7 88.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.135 0.493 . . . . 0.0 110.131 176.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -62.88 -30.0 71.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.554 -178.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.518 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 62.3 mm-40 -86.14 -15.23 41.71 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.933 0.396 . . . . 0.0 111.36 -178.724 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.408 ' O ' ' HA ' ' A' ' 6' ' ' PHE . . . 118.38 10.31 8.82 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.347 -0.93 . . . . 0.0 112.625 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.88 174.19 22.12 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.7 176.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.655 HD21 HG21 ' A' ' 56' ' ' ILE . 65.0 mt -52.54 -53.1 50.72 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.689 0.756 . . . . 0.0 111.607 -176.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -70.16 -22.41 62.98 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.871 -1.059 . . . . 0.0 112.042 -170.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.7 -37.71 48.99 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.181 0.515 . . . . 0.0 109.85 174.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.674 HG12 HG11 ' B' ' 79' ' ' VAL . 54.0 t -61.47 -36.6 74.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.229 176.498 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.489 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 73.3 mtp180 -59.14 -37.85 78.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.491 176.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -68.25 -41.46 81.1 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.03 -178.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.605 ' HG3' ' HA ' ' A' ' 65' ' ' VAL . 1.9 mm-40 -49.93 -35.74 25.15 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.872 0.732 . . . . 0.0 111.128 179.351 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.669 ' HE2' ' HB3' ' A' ' 31' ' ' SER . 39.5 mtt -56.93 -38.65 73.19 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.885 -176.459 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.29 21.48 13.58 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.041 -177.491 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.5 tmm_? -135.28 -62.58 0.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.274 -177.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 . . . . . 0 C--O 1.25 1.1 0 O-C-N 123.743 0.652 . . . . 0.0 110.521 -174.68 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.968 0 N-CA-C 112.639 -0.184 . . . . 0.0 112.639 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . 0.434 ' HB3' ' HB2' ' B' ' 81' ' ' GLN . 67.7 m80 -139.79 48.1 1.82 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 176.365 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' MET . . . . . . . . . . . . . 63.6 mtm -79.33 58.57 2.62 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.188 0.518 . . . . 0.0 111.254 -176.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . 0.846 ' HB2' ' HB3' ' B' ' 81' ' ' GLN . 4.0 mm? -110.81 137.92 20.95 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.676 176.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -94.04 25.7 0.36 Allowed 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 123.286 2.658 . . . . 0.0 112.514 -178.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' ASP . . . . . 0.519 ' CB ' ' HA ' ' A' ' 69' ' ' MET . 4.1 p30 -160.12 -167.38 1.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.538 -174.49 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . 0.674 HG11 HG12 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -44.47 -34.39 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 114.847 -1.069 . . . . 0.0 113.513 177.679 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.413 ' O ' ' HG3' ' B' ' 84' ' ' MET . . . -53.91 -43.73 69.97 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 -170.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' GLN . . . . . 0.846 ' HB3' ' HB2' ' B' ' 76' ' ' LEU . 3.1 pt20 -69.37 -34.21 74.22 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.616 0.722 . . . . 0.0 109.638 179.279 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . 0.689 ' HG3' ' HE1' ' A' ' 55' ' ' PHE . 17.7 tpt180 -73.48 -16.8 61.29 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.503 -1.226 . . . . 0.0 110.142 -178.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . 0.502 HD13 ' CD2' ' A' ' 55' ' ' PHE . 23.3 tp -94.12 -36.34 12.12 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.926 -176.059 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' MET . . . . . 0.413 ' HG3' ' O ' ' B' ' 80' ' ' ALA . 66.0 mtt -53.93 -48.83 69.81 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.149 0.499 . . . . 0.0 110.038 175.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . 0.439 ' O ' ' HG2' ' B' ' 89' ' ' GLU . 63.9 mt-30 -64.83 -34.86 79.37 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.658 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . 0.501 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 19.5 t60 -63.92 -27.09 68.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.08 -175.655 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.638 HD12 HG22 ' B' ' 92' ' ' ILE . 2.8 mm? -87.87 -52.75 5.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.009 0.433 . . . . 0.0 110.855 176.116 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -50.5 -40.6 51.8 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 -172.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' B' ' 85' ' ' GLN . 17.6 mm-40 -62.08 -20.69 64.27 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -175.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -102.74 5.73 39.04 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -174.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 76.95 20.34 76.15 Favored Glycine 0 C--N 1.328 0.124 0 C-N-CA 120.145 -1.026 . . . . 0.0 112.389 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . 0.648 HG13 HD13 ' A' ' 51' ' ' LEU . 41.9 mm -58.62 148.54 6.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 C-N-CA 123.442 0.697 . . . . 0.0 110.897 178.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 23.8 mp0 -75.85 135.05 71.25 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.329 -177.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_exo -66.6 151.42 82.84 Favored 'Trans proline' 0 C--O 1.236 0.398 0 C-N-CA 122.675 2.25 . . . . 0.0 110.921 171.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . 0.424 ' HA ' ' OE1' ' A' ' 42' ' ' GLN . . . -66.02 84.52 0.08 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.253 0.549 . . . . 0.0 110.715 178.177 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -88.03 -88.11 0.15 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.397 -178.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 177.13 -26.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.573 -176.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 98' ' ' MET . . . . . . . . . . . . . 51.3 tpp -46.35 114.2 0.77 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.751 -178.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.94 -12.31 60.61 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.043 -179.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -75.26 89.49 2.56 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.089 0.471 . . . . 0.0 110.542 178.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 48.6 m-70 -104.88 11.71 33.35 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 171.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 40.6 mm -115.36 132.27 23.17 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.92 -169.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -65.75 127.73 18.49 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.327 2.018 . . . . 0.0 110.824 170.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 104' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_exo -51.6 132.18 39.89 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.901 2.401 . . . . 0.0 112.623 -178.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.38 116.28 45.67 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.294 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 106' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -68.08 102.12 0.76 Allowed 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.742 2.295 . . . . 0.0 112.714 -175.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -101.25 149.05 24.41 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 173.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 9.9 m-90 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.55 -0.738 . . . . 0.0 110.491 -174.055 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.786 0 N-CA-C 111.982 -0.447 . . . . 0.0 111.982 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 13.8 p-80 -87.4 123.98 32.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.226 0.536 . . . . 0.0 109.757 176.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 72.1 mtm -101.48 61.48 0.92 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.451 0.643 . . . . 0.0 111.08 -176.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.8 t -103.08 117.64 35.01 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 174.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -57.41 -39.31 90.34 Favored Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 115.163 -0.926 . . . . 0.0 114.122 -172.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -140.7 109.51 6.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.336 0.589 . . . . 0.0 111.013 -178.726 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.863 ' HB2' ' HA3' ' A' ' 61' ' ' GLY . 20.6 pttm -76.78 -11.52 59.85 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.703 -179.516 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -134.15 75.58 1.6 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.552 -175.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.4 p -114.48 -31.48 2.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.127 0.489 . . . . 0.0 111.243 -179.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.7 m -81.67 0.03 40.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.404 -177.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.413 ' C ' ' H ' ' A' ' 13' ' ' GLY . 35.2 m80 63.1 6.47 2.31 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-O 120.891 0.377 . . . . 0.0 110.529 -170.053 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.593 HG13 HD23 ' A' ' 62' ' ' LEU . 26.3 t 68.27 -11.46 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 123.462 0.705 . . . . 0.0 112.097 178.072 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.413 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . 72.55 27.39 69.55 Favored Glycine 0 N--CA 1.45 -0.398 0 N-CA-C 110.389 -1.084 . . . . 0.0 110.389 -173.15 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.73 ' CZ2' ' HA ' ' A' ' 16' ' ' PRO . 67.2 t90 -126.4 141.0 52.05 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.151 -0.525 . . . . 0.0 111.218 -173.25 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.506 ' HB2' ' HB2' ' A' ' 18' ' ' ASN . 2.2 m-20 -124.32 129.24 24.77 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.417 173.179 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.73 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 95.9 Cg_exo -43.86 -45.85 11.07 Favored 'Trans proline' 0 N--CA 1.472 0.254 0 C-N-CA 123.643 2.895 . . . . 0.0 114.624 -171.52 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -103.16 -4.57 24.24 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 111.887 0.329 . . . . 0.0 111.887 -174.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.506 ' HB2' ' HB2' ' A' ' 15' ' ' ASP . 17.7 m120 -108.11 -35.9 6.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.585 0.231 . . . . 0.0 111.317 -176.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.511 ' HA2' ' OG ' ' A' ' 49' ' ' SER . . . 108.54 -163.57 12.74 Favored Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 121.029 -0.605 . . . . 0.0 112.576 179.093 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.406 ' CD1' ' HB2' ' A' ' 14' ' ' TRP . 89.3 m-85 -88.44 132.78 34.33 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 177.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -77.59 80.49 4.07 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 176.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.58 ' HA ' ' HB3' ' A' ' 25' ' ' LEU . 3.6 p -50.69 -26.03 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 C-N-CA 123.682 0.793 . . . . 0.0 112.242 -177.059 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -69.39 -40.16 77.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.861 0.362 . . . . 0.0 110.545 178.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -117.12 43.45 2.3 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.721 0.772 . . . . 0.0 109.035 178.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.58 ' HB3' ' HA ' ' A' ' 22' ' ' VAL . 0.1 OUTLIER -99.94 133.72 43.9 Favored 'General case' 0 N--CA 1.438 -1.025 0 CA-C-N 114.517 -1.219 . . . . 0.0 109.912 -172.576 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -54.43 132.1 62.68 Favored Pre-proline 0 N--CA 1.466 0.327 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.923 -173.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -53.29 -38.89 82.46 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 124.282 3.321 . . . . 0.0 113.957 -177.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -71.64 -37.87 70.79 Favored 'General case' 0 CA--C 1.519 -0.242 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.281 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.559 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 98.3 mt -64.69 -42.97 94.93 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 175.178 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -56.2 -41.41 75.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.929 176.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.5 t -58.66 -49.35 77.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.505 175.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.757 HD12 HG12 ' B' ' 79' ' ' VAL . 57.2 tp -64.39 -55.17 22.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.396 -0.82 . . . . 0.0 112.11 -175.348 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.559 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 12.4 m-30 -61.69 -37.17 83.12 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.226 -171.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.3 t -63.24 -26.78 68.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 177.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 35.5 mtt180 -80.6 -35.57 33.92 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.773 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.4 -28.56 62.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.395 -177.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.64 -3.56 23.16 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.427 -0.892 . . . . 0.0 111.79 -176.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.778 HD12 HD11 ' A' ' 52' ' ' ILE . 43.0 mt -63.45 115.21 2.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 C-N-CA 122.688 0.395 . . . . 0.0 111.068 178.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.697 ' HG ' ' HB1' ' B' ' 95' ' ' ALA . 97.5 p -88.85 179.57 6.18 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.859 179.265 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -57.73 -40.93 80.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.216 0.531 . . . . 0.0 109.652 172.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.595 ' HA ' ' HE1' ' B' ' 101' ' ' HIS . . . -66.06 -32.03 73.26 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.867 -179.599 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.59 ' HB3' HG23 ' A' ' 48' ' ' THR . 32.1 mt-30 -77.0 -38.66 52.68 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.07 179.019 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.535 HD21 ' CD2' ' A' ' 33' ' ' PHE . 28.4 mt -65.31 -24.75 67.36 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.734 176.75 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.7 p -106.72 15.29 25.82 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.447 0.641 . . . . 0.0 110.271 178.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.474 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 30.8 t70 -90.37 135.15 33.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.002 176.223 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.95 -55.9 22.75 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-O 121.572 0.701 . . . . 0.0 111.044 179.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -70.36 -54.64 11.66 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 114.748 -1.115 . . . . 0.0 111.052 -170.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.661 HG22 HD13 ' A' ' 52' ' ' ILE . 17.5 m -51.44 -63.74 1.04 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.469 -0.787 . . . . 0.0 112.289 -179.637 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.511 ' OG ' ' HA2' ' A' ' 19' ' ' GLY . 97.6 p -59.91 -43.54 94.79 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -172.652 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.52 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 81.9 tttt -61.28 -38.64 87.52 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.715 -176.332 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.71 HD12 HD13 ' B' ' 92' ' ' ILE . 78.2 mt -81.36 -27.76 34.74 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.046 179.28 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.778 HD11 HD12 ' A' ' 38' ' ' ILE . 99.0 mt -58.64 -48.16 86.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 120.643 0.259 . . . . 0.0 110.381 171.006 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.423 ' CE1' HG22 ' A' ' 12' ' ' VAL . 62.5 t80 -61.62 -46.0 91.67 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.818 0.342 . . . . 0.0 110.567 178.521 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -54.55 -35.68 63.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.254 176.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.628 ' HE1' ' HG2' ' B' ' 82' ' ' ARG . 38.7 t80 -65.35 -49.8 68.01 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.01 174.651 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.493 HG21 HG22 ' A' ' 65' ' ' VAL . 98.2 mt -59.53 -37.66 71.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.49 -177.569 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -72.91 -20.25 61.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.256 0.55 . . . . 0.0 109.953 178.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.542 ' HB3' ' O ' ' A' ' 55' ' ' PHE . 27.7 t70 -70.82 -34.58 71.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.107 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -76.37 -20.25 57.36 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.819 0.342 . . . . 0.0 110.628 176.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.46 21.9 3.88 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.458 -0.877 . . . . 0.0 112.944 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.863 ' HA3' ' HB2' ' A' ' 7' ' ' LYS . . . 110.91 -177.74 19.38 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.474 -0.87 . . . . 0.0 113.058 173.331 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.593 HD23 HG13 ' A' ' 12' ' ' VAL . 96.5 mt -59.29 -52.02 67.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.766 0.317 . . . . 0.0 111.732 -176.159 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.401 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 10.9 mm-40 -62.43 -31.27 71.94 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.453 -175.658 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.78 -39.5 87.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.934 0.397 . . . . 0.0 110.897 -179.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.493 HG22 HG21 ' A' ' 56' ' ' ILE . 98.7 t -68.4 -30.36 47.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.492 0.663 . . . . 0.0 110.305 178.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.475 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 73.5 mtp180 -70.14 -26.81 64.12 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.909 177.313 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 63' ' ' GLU . 51.5 mt-30 -72.42 -35.64 68.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.428 174.596 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.709 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 46.4 mm-40 -58.53 -25.15 62.14 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.681 178.057 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.509 ' C ' ' HD2' ' A' ' 70' ' ' ARG . 21.0 mmt -61.1 -19.17 61.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.855 177.663 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.509 ' HD2' ' C ' ' A' ' 69' ' ' MET . 3.4 mpt_? -123.74 15.3 9.42 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 177.243 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.709 ' HB3' ' HA ' ' A' ' 68' ' ' GLU . 23.8 ttt180 -126.86 -83.35 0.62 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -174.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 0.994 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 -166.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.569 0 N-CA-C 111.606 -0.598 . . . . 0.0 111.606 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -120.06 97.62 5.69 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.106 0.479 . . . . 0.0 109.836 177.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' MET . . . . . . . . . . . . . 15.2 tpt -138.68 117.07 11.98 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.06 179.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . 0.871 ' HG ' ' HD2' ' B' ' 77' ' ' PRO . 9.0 tp -167.4 150.81 6.01 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 -178.277 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' PRO . . . . . 0.871 ' HD2' ' HG ' ' B' ' 76' ' ' LEU . 89.9 Cg_endo -80.71 11.52 2.91 Favored 'Trans proline' 0 C--O 1.234 0.325 0 C-N-CA 122.549 2.166 . . . . 0.0 113.761 -169.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -153.31 -170.01 3.48 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.414 0.626 . . . . 0.0 111.735 -177.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . 0.757 HG12 HD12 ' A' ' 32' ' ' LEU . 2.0 p -61.2 -20.21 21.92 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 CA-C-N 114.741 -1.118 . . . . 0.0 113.071 -175.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.768 ' HB3' HD22 ' B' ' 76' ' ' LEU . . . -52.85 -38.47 61.54 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -176.474 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' GLN . . . . . 0.468 ' HG3' ' N ' ' B' ' 82' ' ' ARG . 3.0 pt20 -64.27 -37.91 89.17 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.346 0.594 . . . . 0.0 110.629 -178.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . 0.628 ' HG2' ' HE1' ' A' ' 55' ' ' PHE . 38.7 ttm180 -72.93 -16.15 61.55 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.896 -176.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . 0.765 HD21 HD11 ' A' ' 38' ' ' ILE . 29.5 tp -90.18 -37.37 14.21 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.069 -177.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' MET . . . . . 0.485 ' HG3' ' O ' ' B' ' 80' ' ' ALA . 55.7 mtt -54.72 -41.03 69.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.318 178.088 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . 0.599 ' O ' ' HG2' ' B' ' 89' ' ' GLU . 2.5 tt0 -73.68 -40.77 63.42 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.855 -178.213 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . 0.623 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 48.9 t60 -57.05 -34.6 68.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.452 -175.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.541 ' HB3' ' CG1' ' B' ' 92' ' ' ILE . 27.1 mt -85.74 -42.38 14.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.027 0.442 . . . . 0.0 110.742 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.92 -33.69 64.91 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.269 -0.878 . . . . 0.0 112.095 -178.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.599 ' HG2' ' O ' ' B' ' 85' ' ' GLN . 18.8 mm-40 -58.78 -31.45 68.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.904 0.383 . . . . 0.0 111.697 179.346 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -93.5 -58.42 2.29 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.388 -175.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 147.45 29.1 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.226 -0.988 . . . . 0.0 113.277 179.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . 0.71 HD13 HD12 ' A' ' 51' ' ' LEU . 1.7 mp -55.19 139.83 13.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.956 0.408 . . . . 0.0 111.403 178.032 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -79.98 118.24 71.43 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.668 -176.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 94' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -70.2 135.95 30.65 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 123.026 2.484 . . . . 0.0 112.665 -173.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . 0.697 ' HB1' ' HG ' ' A' ' 39' ' ' SER . . . -153.61 71.58 0.88 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.559 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -80.95 48.31 1.09 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.966 -178.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -153.28 148.59 26.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.727 -178.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 98' ' ' MET . . . . . . . . . . . . . 26.1 mmt -89.96 80.63 6.38 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.11 0.481 . . . . 0.0 111.055 -177.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -95.63 95.53 8.42 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.866 178.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -67.91 114.11 6.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.144 176.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 101' ' ' HIS . . . . . 0.595 ' HE1' ' HA ' ' A' ' 41' ' ' ALA . 48.4 p-80 -112.91 165.43 12.34 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.024 0.44 . . . . 0.0 110.551 -177.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' ILE . . . . . 0.436 ' HA ' ' HD3' ' B' ' 103' ' ' PRO . 56.7 mt -82.6 125.58 75.61 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.601 -175.483 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 103' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' B' ' 102' ' ' ILE . 11.3 Cg_exo -71.41 116.33 4.65 Favored 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.619 2.213 . . . . 0.0 110.97 174.676 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 104' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -86.42 140.08 6.2 Favored 'Trans proline' 0 N--CA 1.456 -0.722 0 C-N-CA 122.64 2.227 . . . . 0.0 113.097 -176.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -85.7 122.85 73.07 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.828 175.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 106' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -42.73 -61.29 0.57 Allowed 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 123.759 2.973 . . . . 0.0 112.899 -174.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 57.2 m-80 -146.3 -53.97 0.25 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.453 0.644 . . . . 0.0 109.274 175.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 78.9 t90 . . . . . 0 C--O 1.25 1.119 0 CA-C-N 115.353 -0.839 . . . . 0.0 109.925 -177.37 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.606 0 N-CA-C 112.073 -0.411 . . . . 0.0 112.073 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 50.2 m80 -129.39 124.31 33.88 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 178.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 22.2 ptp -76.99 140.01 40.27 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.35 -179.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.5 p -83.36 7.91 15.23 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.974 0.416 . . . . 0.0 111.412 -177.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 112.93 -124.24 6.54 Favored Glycine 0 N--CA 1.444 -0.773 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 -177.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -112.02 99.29 7.97 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 178.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.3 pttm -73.89 75.89 1.64 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.091 0.472 . . . . 0.0 111.296 -177.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 46.7 p-80 41.85 50.07 4.04 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.027 0.931 . . . . 0.0 111.85 -177.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 30.8 m -79.2 10.84 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.119 -179.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.0 t 71.58 -48.25 0.67 Allowed 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 123.669 0.788 . . . . 0.0 112.147 176.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 23.2 t-80 -60.32 -40.0 89.03 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 175.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.497 HG11 HD11 ' A' ' 62' ' ' LEU . 61.6 t 56.07 -89.94 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 CA-C-N 114.835 -1.075 . . . . 0.0 111.637 174.287 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -168.67 26.44 0.12 Allowed Glycine 0 N--CA 1.441 -1.013 0 N-CA-C 108.866 -1.693 . . . . 0.0 108.866 174.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.438 ' CZ2' ' HA ' ' A' ' 16' ' ' PRO . 64.5 t90 -117.18 132.39 56.66 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 114.661 -0.769 . . . . 0.0 111.472 -170.17 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -111.69 132.82 21.72 Favored Pre-proline 0 C--N 1.32 -0.676 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 171.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.438 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 11.7 Cg_endo -54.21 -31.26 65.35 Favored 'Trans proline' 0 CA--C 1.528 0.188 0 C-N-CA 123.527 2.818 . . . . 0.0 114.02 -173.711 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -106.04 -34.4 7.58 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.998 0.369 . . . . 0.0 111.998 -177.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -94.92 -9.52 33.9 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -173.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.68 -163.19 38.35 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 121.018 -0.61 . . . . 0.0 112.375 178.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.521 ' HE2' ' HB ' ' A' ' 52' ' ' ILE . 67.5 m-85 -73.33 142.54 47.09 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 175.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.469 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 12.8 t70 -83.93 114.29 21.58 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 174.242 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.605 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 24.4 m -71.48 -21.63 21.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 -169.71 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -96.19 -15.84 21.82 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.465 178.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.422 ' HB2' ' HB3' ' A' ' 21' ' ' ASP . 9.6 m120 -102.04 14.01 33.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.927 0.394 . . . . 0.0 110.243 172.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.605 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 17.9 mt -65.82 147.41 53.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.179 178.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.491 ' HB3' HD11 ' A' ' 29' ' ' LEU . 20.9 t70 -83.69 135.48 43.12 Favored Pre-proline 0 C--N 1.32 -0.674 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.525 178.089 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -42.54 -52.94 4.08 Favored 'Trans proline' 0 C--O 1.237 0.463 0 C-N-CA 123.335 2.69 . . . . 0.0 113.671 -177.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -69.67 -40.14 76.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.115 -176.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.493 HD21 HD23 ' A' ' 62' ' ' LEU . 89.8 mt -57.59 -47.23 82.68 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-O 121.114 0.483 . . . . 0.0 109.926 174.362 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -58.85 -44.39 90.97 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.334 -178.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.459 ' HB3' ' HE3' ' A' ' 69' ' ' MET . 8.2 t -58.78 -49.51 77.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.495 0.664 . . . . 0.0 110.088 176.633 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.828 HD22 HG12 ' B' ' 79' ' ' VAL . 0.6 OUTLIER -61.58 -56.5 19.21 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.655 -1.157 . . . . 0.0 111.49 -174.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.47 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 14.4 m-30 -55.56 -39.78 71.08 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.763 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.1 t -62.2 -35.8 79.97 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.972 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -69.65 -40.74 76.29 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 121.016 0.436 . . . . 0.0 110.621 178.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.531 ' O ' ' HG2' ' B' ' 84' ' ' MET . . . -64.36 -29.64 70.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.261 -177.107 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.44 -12.54 21.26 Favored Glycine 0 N--CA 1.45 -0.429 0 N-CA-C 111.426 -0.67 . . . . 0.0 111.426 -177.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.675 HD12 HD11 ' A' ' 52' ' ' ILE . 43.9 mt -62.72 105.21 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-O 121.118 0.485 . . . . 0.0 110.342 178.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.6 m -81.1 169.34 17.56 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.403 -177.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.455 ' HG3' HG13 ' A' ' 22' ' ' VAL . 43.1 tt0 -50.77 -45.13 58.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.569 -178.396 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.424 ' O ' ' HE1' ' B' ' 101' ' ' HIS . . . -56.4 -53.96 51.17 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.957 177.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.652 ' HB3' HG23 ' A' ' 48' ' ' THR . 54.5 mt-30 -53.38 -36.04 60.97 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.031 179.141 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.422 HD13 HD11 ' A' ' 25' ' ' LEU . 64.1 mt -72.06 -10.92 60.45 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.322 179.591 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.8 p -113.28 16.34 19.07 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.476 0.655 . . . . 0.0 109.824 174.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -97.45 147.1 24.57 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.168 174.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.77 -68.55 0.35 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -171.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.463 ' CD ' ' H ' ' A' ' 47' ' ' GLU . 1.3 pm0 -64.34 -39.77 94.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.114 -173.181 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.652 HG23 ' HB3' ' A' ' 42' ' ' GLN . 3.6 m -53.54 -58.04 8.57 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.158 176.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 27.9 m -63.47 -36.34 83.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.723 -176.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 47.4 tttp -61.55 -43.58 98.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.867 0.365 . . . . 0.0 110.261 -179.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.668 HD22 HG13 ' B' ' 92' ' ' ILE . 5.2 mp -65.45 -42.42 92.38 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.284 177.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.675 HD11 HD12 ' A' ' 38' ' ' ILE . 57.9 mt -57.4 -48.21 83.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.5 177.421 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -62.25 -44.68 96.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.059 0.457 . . . . 0.0 110.236 179.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.28 -47.46 78.55 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.5 174.366 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.575 ' HE1' ' HG3' ' B' ' 82' ' ' ARG . 56.8 t80 -54.23 -51.03 65.75 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.994 176.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.653 HG22 HD22 ' A' ' 62' ' ' LEU . 94.6 mt -59.46 -43.21 90.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.103 -177.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -68.9 -32.86 72.8 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.994 0.426 . . . . 0.0 110.259 179.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -66.62 -34.12 77.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.678 178.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.466 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 84.7 mm-40 -80.94 -10.94 59.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.951 179.224 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.67 -14.79 10.62 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.653 -0.784 . . . . 0.0 113.534 176.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.484 ' O ' HG13 ' A' ' 65' ' ' VAL . . . 132.8 -172.19 21.41 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.321 -0.942 . . . . 0.0 112.762 178.573 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.653 HD22 HG22 ' A' ' 56' ' ' ILE . 70.1 mt -66.68 -58.81 4.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.897 0.379 . . . . 0.0 111.175 -174.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.61 ' HA ' ' HD2' ' A' ' 66' ' ' ARG . 2.3 mp0 -62.55 -26.31 68.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.404 -178.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.505 ' O ' ' HG2' ' A' ' 68' ' ' GLU . . . -64.15 -52.66 57.97 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.198 177.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.579 ' HA ' ' CG ' ' A' ' 68' ' ' GLU . 2.1 m -70.24 -21.53 23.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.222 -179.086 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.61 ' HD2' ' HA ' ' A' ' 63' ' ' GLU . 92.6 mtt180 -60.69 -37.14 80.67 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-O 121.125 0.488 . . . . 0.0 110.099 171.352 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -75.39 -38.2 60.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.462 -179.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.844 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 4.4 mm-40 -54.98 -31.88 61.18 Favored 'General case' 0 C--N 1.331 -0.215 0 O-C-N 123.491 0.494 . . . . 0.0 111.235 179.722 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.648 ' HA ' ' OD1' ' B' ' 78' ' ' ASP . 37.0 mtt -50.08 -33.81 19.7 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.47 176.175 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -122.82 28.83 7.08 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.339 176.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.844 ' HB3' ' HA ' ' A' ' 68' ' ' GLU . 33.8 ttt180 -134.05 -74.77 0.48 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -174.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 . . . . . 0 C--O 1.254 1.334 0 CA-C-O 118.338 -0.839 . . . . 0.0 111.725 -172.046 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.796 0 N-CA-C 111.837 -0.505 . . . . 0.0 111.837 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 6.2 m80 65.63 174.86 0.22 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.302 0.572 . . . . 0.0 110.945 -177.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -141.49 -163.85 1.65 Allowed 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 178.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . 0.772 ' HG ' ' HD2' ' B' ' 77' ' ' PRO . 9.1 tp 73.77 147.66 0.12 Allowed Pre-proline 0 CA--C 1.533 0.294 0 O-C-N 123.972 0.795 . . . . 0.0 110.251 179.35 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' PRO . . . . . 0.772 ' HD2' ' HG ' ' B' ' 76' ' ' LEU . 42.3 Cg_endo -93.83 26.18 0.36 Allowed 'Trans proline' 0 N--CA 1.454 -0.817 0 C-N-CA 123.148 2.565 . . . . 0.0 111.63 -174.658 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' ASP . . . . . 0.648 ' OD1' ' HA ' ' A' ' 69' ' ' MET . 18.0 t0 -154.67 159.25 40.64 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.348 -168.335 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . 0.828 HG12 HD22 ' A' ' 32' ' ' LEU . 3.4 p -62.66 -10.84 5.86 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 CA-C-N 114.555 -1.202 . . . . 0.0 111.26 -179.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.52 ' HB3' HD22 ' B' ' 76' ' ' LEU . . . -53.79 -51.87 62.11 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 112.802 0.668 . . . . 0.0 112.802 179.1 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' GLN . . . . . 0.503 ' HB2' ' HB3' ' B' ' 76' ' ' LEU . 1.1 tm0? -68.02 -37.24 81.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.917 0.389 . . . . 0.0 111.172 -175.164 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . 0.575 ' HG3' ' HE1' ' A' ' 55' ' ' PHE . 21.5 tpp180 -55.55 -38.2 69.0 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.563 0.697 . . . . 0.0 109.865 174.313 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . 0.574 HD21 HD13 ' A' ' 38' ' ' ILE . 45.2 tp -75.95 -40.19 54.54 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.166 -0.924 . . . . 0.0 111.506 -178.589 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' MET . . . . . 0.531 ' HG2' ' O ' ' A' ' 36' ' ' ALA . 66.2 mtt -48.97 -54.03 17.31 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.32 0.581 . . . . 0.0 111.256 -179.193 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -67.53 -29.6 69.04 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.65 -175.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . 0.472 ' HA ' ' OE1' ' B' ' 89' ' ' GLU . 61.9 t60 -67.99 -20.76 65.06 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -176.029 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.72 HD13 HG23 ' B' ' 92' ' ' ILE . 1.9 mm? -85.1 -43.26 14.05 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.375 -0.53 . . . . 0.0 110.365 174.49 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.23 -20.38 66.4 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.15 -176.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.63 ' HG3' ' CD2' ' B' ' 90' ' ' HIS . 9.7 pt-20 -78.38 -10.71 59.8 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -175.544 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . 0.63 ' CD2' ' HG3' ' B' ' 89' ' ' GLU . 95.7 m-70 -124.62 16.22 8.81 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 113.113 0.783 . . . . 0.0 113.113 -175.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 63.38 44.57 96.62 Favored Glycine 0 N--CA 1.458 0.115 0 C-N-CA 120.346 -0.93 . . . . 0.0 112.076 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . 0.72 HG23 HD13 ' B' ' 87' ' ' LEU . 37.8 mm -82.59 144.93 9.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 C-N-CA 123.136 0.575 . . . . 0.0 110.098 -178.529 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -73.72 113.43 22.72 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-O 121.055 0.455 . . . . 0.0 110.829 -176.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 94' ' ' PRO . . . . . 0.594 ' HA ' ' NE2' ' A' ' 42' ' ' GLN . 87.2 Cg_endo -92.93 146.55 2.49 Favored 'Trans proline' 0 N--CA 1.451 -0.998 0 C-N-CA 123.312 2.675 . . . . 0.0 113.594 -177.726 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . 0.5 ' HA ' ' O ' ' B' ' 98' ' ' MET . . . -98.71 3.73 47.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.837 0.827 . . . . 0.0 108.942 170.5 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 5.0 tpt85 -62.05 -36.03 80.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.29 -1.323 . . . . 0.0 110.014 178.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 97' ' ' ASN . . . . . 0.415 ' O ' ' HB2' ' B' ' 98' ' ' MET . 3.1 p30 -135.67 96.75 3.5 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.319 176.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 98' ' ' MET . . . . . 0.5 ' O ' ' HA ' ' B' ' 95' ' ' ALA . 90.7 mmm 67.82 -177.06 0.2 Allowed 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.127 -173.605 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -157.37 90.19 1.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.818 0.342 . . . . 0.0 110.891 -179.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -84.07 81.25 8.88 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 176.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 101' ' ' HIS . . . . . 0.424 ' HE1' ' O ' ' A' ' 41' ' ' ALA . 15.4 t60 -88.96 102.26 14.89 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.252 -0.885 . . . . 0.0 109.073 -179.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' ILE . . . . . 0.4 ' HA ' ' HD3' ' B' ' 103' ' ' PRO . 63.2 mt -64.75 117.98 43.82 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.838 -172.615 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 103' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' B' ' 102' ' ' ILE . 16.2 Cg_exo -68.97 132.46 24.67 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 123.14 2.56 . . . . 0.0 111.423 176.46 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 104' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -59.5 123.7 13.91 Favored 'Trans proline' 0 C--O 1.235 0.362 0 C-N-CA 122.61 2.207 . . . . 0.0 112.024 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 105' ' ' ALA . . . . . 0.476 ' HA ' ' HD3' ' B' ' 106' ' ' PRO . . . -63.39 136.91 96.91 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.492 178.502 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 106' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' B' ' 105' ' ' ALA . 12.3 Cg_exo -70.54 72.49 1.82 Allowed 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 123.17 2.58 . . . . 0.0 112.413 -178.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 64.8 t30 69.78 172.05 0.3 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.937 177.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 43.1 m95 . . . . . 0 C--O 1.252 1.227 0 CA-C-O 118.387 -0.816 . . . . 0.0 109.545 177.411 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.583 0 N-CA-C 111.859 -0.496 . . . . 0.0 111.859 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 50.8 m-70 -83.29 89.37 6.99 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 122.616 -0.343 . . . . 0.0 111.022 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 15.2 tpt -93.11 1.26 57.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.916 0.865 . . . . 0.0 109.112 174.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.1 p -63.0 -22.64 66.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.807 -1.088 . . . . 0.0 111.208 178.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 112.82 -5.72 25.87 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.13 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -70.57 83.68 0.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.244 0.545 . . . . 0.0 111.597 -179.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -158.89 99.2 1.52 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.676 173.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 57.7 44.27 20.81 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 121.773 0.796 . . . . 0.0 110.732 -178.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.9 m -116.94 105.38 18.14 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.855 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.093 176.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.6 m -78.97 17.03 0.79 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.329 0.585 . . . . 0.0 110.711 178.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.417 ' O ' ' N ' ' A' ' 13' ' ' GLY . 35.2 m80 -95.27 -34.55 12.15 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 168.112 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.616 HG23 HD21 ' A' ' 62' ' ' LEU . 10.5 t 60.18 -72.37 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 O-C-N 124.526 1.142 . . . . 0.0 112.686 173.568 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 11' ' ' HIS . . . 161.97 37.17 0.02 OUTLIER Glycine 0 N--CA 1.442 -0.904 0 N-CA-C 107.762 -2.135 . . . . 0.0 107.762 -173.113 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.547 ' CZ2' ' HA ' ' A' ' 16' ' ' PRO . 57.3 t90 -126.65 143.25 51.29 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 113.93 -1.135 . . . . 0.0 110.582 -167.11 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.566 ' HB3' ' HB2' ' A' ' 18' ' ' ASN . 9.5 t70 -125.18 134.12 25.46 Favored Pre-proline 0 C--N 1.32 -0.683 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 174.64 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.547 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 3.3 Cg_endo -45.48 -49.23 10.76 Favored 'Trans proline' 0 CA--C 1.53 0.303 0 C-N-CA 124.09 3.193 . . . . 0.0 114.503 -171.21 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -103.07 -1.07 29.79 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 120.743 0.306 . . . . 0.0 111.711 -173.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.566 ' HB2' ' HB3' ' A' ' 15' ' ' ASP . 10.2 m120 -112.41 -25.59 9.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.848 0.356 . . . . 0.0 111.734 -179.179 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.657 ' HA3' ' HA ' ' A' ' 44' ' ' THR . . . 96.7 -167.62 24.51 Favored Glycine 0 N--CA 1.442 -0.917 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.403 178.131 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.43 ' CD1' ' HB2' ' A' ' 14' ' ' TRP . 73.9 m-85 -76.42 140.53 41.35 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 178.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -71.44 97.68 1.68 Allowed 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 173.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.62 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 16.3 m -66.13 -6.71 4.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.754 -178.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -98.89 -9.86 23.64 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.21 175.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -117.88 13.97 14.14 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.238 179.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.62 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 19.4 mt -65.69 132.13 48.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.457 -175.677 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -72.91 138.25 79.63 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.041 -0.982 . . . . 0.0 109.624 175.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -49.74 -23.75 8.81 Favored 'Trans proline' 0 CA--C 1.531 0.342 0 C-N-CA 123.924 3.082 . . . . 0.0 114.191 -178.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -85.12 -44.65 12.79 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 179.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.2 mp -55.57 -46.68 77.18 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.103 0.478 . . . . 0.0 110.675 169.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -56.75 -33.84 66.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.184 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.41 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 23.0 t -70.44 -55.77 8.23 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.324 176.61 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.596 ' CD1' HG12 ' B' ' 79' ' ' VAL . 55.0 tp -59.91 -54.12 49.93 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.619 -0.718 . . . . 0.0 112.537 -171.043 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.482 ' HB3' ' HB ' ' A' ' 38' ' ' ILE . 14.6 m-30 -63.62 -36.2 83.03 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.751 -170.436 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 25.9 m -64.39 -36.78 85.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.882 176.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.41 ' HG3' ' O ' ' A' ' 31' ' ' SER . 78.4 mtp180 -76.27 -26.32 55.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.128 0.49 . . . . 0.0 110.076 178.64 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.32 -4.31 58.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.164 -0.926 . . . . 0.0 111.437 -177.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.93 -2.28 87.07 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.042 178.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.733 HD12 HD11 ' A' ' 52' ' ' ILE . 37.1 mt -70.33 105.2 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 CA-C-O 120.942 0.401 . . . . 0.0 110.185 177.099 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.5 t -81.19 171.24 15.12 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.78 177.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.466 ' HG3' HG13 ' A' ' 22' ' ' VAL . 30.2 tt0 -53.63 -38.6 64.22 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.951 0.405 . . . . 0.0 111.055 -177.179 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.426 ' O ' ' HE1' ' B' ' 101' ' ' HIS . . . -60.71 -49.56 77.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.04 178.633 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.593 ' HB3' HG23 ' A' ' 48' ' ' THR . 36.7 mt-30 -59.28 -36.68 76.01 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.639 0.257 . . . . 0.0 111.612 -179.061 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.457 ' HG ' HG23 ' A' ' 38' ' ' ILE . 55.6 mt -66.36 -21.98 66.25 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 121.036 -0.265 . . . . 0.0 111.167 178.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.657 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 22.8 p -112.63 20.88 16.16 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.294 0.568 . . . . 0.0 110.415 179.526 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.648 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 27.5 t70 -98.54 134.54 41.35 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.209 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.9 -62.45 1.64 Allowed 'General case' 0 C--O 1.236 0.388 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -170.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -70.39 -47.68 59.73 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 121.127 -0.229 . . . . 0.0 111.154 -178.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.648 ' HB ' ' HB3' ' A' ' 45' ' ' ASP . 19.2 m -54.68 -53.27 57.05 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.2 t -63.98 -48.38 76.66 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.738 -172.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -65.85 -29.1 69.5 Favored 'General case' 0 C--N 1.334 -0.093 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.76 -177.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.804 HD11 HD11 ' B' ' 92' ' ' ILE . 68.1 mt -82.48 -24.29 34.28 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 121.031 -0.267 . . . . 0.0 111.484 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.733 HD11 HD12 ' A' ' 38' ' ' ILE . 75.1 mt -64.02 -45.83 95.6 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.228 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 165.028 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -59.15 -48.01 83.18 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.366 176.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.524 ' HB3' ' HA ' ' A' ' 51' ' ' LEU . 3.4 t70 -55.41 -41.67 73.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.698 174.528 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.547 ' HB3' ' O ' ' A' ' 52' ' ' ILE . 70.0 t80 -56.96 -51.94 67.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.658 176.24 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 77.6 mt -64.71 -41.28 91.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.026 -177.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -65.12 -38.7 91.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.316 177.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -60.16 -34.42 73.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.43 -179.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 25.2 mm-40 -79.3 -10.7 59.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.134 -177.135 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 112.64 19.84 6.79 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.469 -179.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 103.84 178.62 25.64 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.547 176.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.616 HD21 HG23 ' A' ' 12' ' ' VAL . 9.5 mp -59.82 -38.77 82.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.994 0.426 . . . . 0.0 111.216 -178.671 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.548 ' HA ' ' HD3' ' A' ' 66' ' ' ARG . 17.8 mm-40 -60.03 -28.2 67.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.004 -176.19 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.67 ' O ' ' HG2' ' A' ' 68' ' ' GLU . . . -71.88 -53.22 13.86 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.212 -179.541 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.519 ' HA ' ' CG ' ' A' ' 68' ' ' GLU . 53.5 t -57.44 -35.72 50.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.159 -179.518 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.548 ' HD3' ' HA ' ' A' ' 63' ' ' GLU . 45.0 mtp180 -58.82 -28.91 66.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.528 177.059 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.465 ' O ' ' HG2' ' A' ' 70' ' ' ARG . 51.3 mt-30 -93.38 -25.94 17.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.648 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.767 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 3.6 mm-40 -63.07 -28.65 70.23 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.055 0.455 . . . . 0.0 110.344 176.502 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 13.5 mmt -52.6 -25.27 10.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.522 173.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.465 ' HG2' ' O ' ' A' ' 67' ' ' GLN . 6.3 ptp180 -121.81 15.84 10.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.215 0.531 . . . . 0.0 109.912 177.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.767 ' HB3' ' HA ' ' A' ' 68' ' ' GLU . 4.1 tmt_? -128.17 -79.94 0.58 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.546 -176.364 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.505 ' HB3' ' HD3' ' A' ' 71' ' ' ARG . 16.5 tp60 . . . . . 0 C--O 1.245 0.852 0 CA-C-O 117.652 -1.166 . . . . 0.0 108.85 -176.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.638 0 N-CA-C 112.702 -0.159 . . . . 0.0 112.702 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . 0.473 ' HB3' ' HB2' ' B' ' 81' ' ' GLN . 67.2 m80 -82.6 67.36 8.62 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.011 0.434 . . . . 0.0 110.025 179.452 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' MET . . . . . 0.448 ' C ' HD21 ' B' ' 76' ' ' LEU . 20.3 mmt -85.6 32.62 0.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.548 -177.647 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . 0.774 ' HB2' ' HB3' ' B' ' 81' ' ' GLN . 3.6 mm? -122.99 135.75 26.18 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -175.131 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -93.86 6.77 2.64 Favored 'Trans proline' 0 N--CA 1.455 -0.744 0 C-N-CA 123.521 2.814 . . . . 0.0 111.769 174.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -118.78 -168.87 1.62 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.306 -172.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . 0.596 HG12 ' CD1' ' A' ' 32' ' ' LEU . 8.1 p -66.83 -6.62 4.74 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 CA-C-N 114.931 -1.032 . . . . 0.0 111.117 178.747 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.448 ' CB ' ' HG ' ' B' ' 76' ' ' LEU . . . -68.48 -50.49 51.98 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.929 -179.562 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' GLN . . . . . 0.774 ' HB3' ' HB2' ' B' ' 76' ' ' LEU . 0.0 OUTLIER -65.65 -24.86 67.13 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 122.075 0.941 . . . . 0.0 109.39 177.757 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -72.76 -16.3 61.65 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 113.666 -1.606 . . . . 0.0 110.4 -177.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . 0.672 HD11 HD11 ' A' ' 38' ' ' ILE . 1.1 mt -87.67 -37.66 16.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.707 179.701 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 54.7 mtt -54.77 -42.0 71.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.19 177.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -66.0 -43.11 88.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.069 178.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . 0.477 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 48.7 t60 -71.75 -20.5 61.87 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 111.938 0.348 . . . . 0.0 111.938 -173.613 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.459 ' HG ' HG21 ' A' ' 48' ' ' THR . 0.0 OUTLIER -87.24 -43.58 12.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.07 0.462 . . . . 0.0 110.311 173.828 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.95 -32.99 71.33 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.549 -178.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.568 ' HG3' ' CD2' ' B' ' 90' ' ' HIS . 8.7 pt-20 -72.11 -6.42 42.43 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -177.198 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . 0.568 ' CD2' ' HG3' ' B' ' 89' ' ' GLU . 96.1 m-70 -129.04 13.5 6.24 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.457 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 73.37 30.22 62.86 Favored Glycine 0 CA--C 1.521 0.423 0 C-N-CA 120.695 -0.764 . . . . 0.0 113.879 174.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . 0.804 HD11 HD11 ' A' ' 51' ' ' LEU . 1.6 mp -60.73 153.08 5.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 C-N-CA 122.732 0.413 . . . . 0.0 110.772 172.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -88.35 101.96 3.26 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.182 175.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 94' ' ' PRO . . . . . 0.512 ' HD3' ' O ' ' B' ' 92' ' ' ILE . 63.2 Cg_endo -76.1 112.77 3.56 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 122.367 2.045 . . . . 0.0 112.339 -176.274 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.27 31.82 0.39 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.379 -179.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -91.49 8.13 37.95 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.989 175.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -159.24 -77.24 0.07 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.987 175.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 98' ' ' MET . . . . . . . . . . . . . 14.8 tpt -156.28 79.47 0.97 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.204 0.525 . . . . 0.0 110.433 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -159.19 106.08 1.75 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.87 178.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -135.38 -153.57 0.52 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.446 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 101' ' ' HIS . . . . . 0.426 ' HE1' ' O ' ' A' ' 41' ' ' ALA . 5.7 m-70 -72.3 -32.76 66.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.428 0.633 . . . . 0.0 109.821 -176.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 47.3 mm -90.26 115.52 64.24 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 115.056 -0.975 . . . . 0.0 109.977 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -71.24 123.66 9.79 Favored 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 122.859 2.373 . . . . 0.0 111.59 178.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 104' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.35 113.83 1.77 Allowed 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.717 2.278 . . . . 0.0 111.739 -179.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 105' ' ' ALA . . . . . 0.462 ' HA ' ' HD3' ' B' ' 106' ' ' PRO . . . -75.6 126.2 87.67 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.986 -176.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 106' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' B' ' 105' ' ' ALA . 17.2 Cg_exo -67.39 -39.39 12.8 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.896 2.397 . . . . 0.0 111.523 177.378 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 107' ' ' ASN . . . . . 0.45 ' HB2' ' O ' ' B' ' 106' ' ' PRO . 59.8 t30 172.77 -57.04 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.077 173.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 71.2 m95 . . . . . 0 C--O 1.247 0.927 0 CA-C-O 118.691 -0.671 . . . . 0.0 109.852 177.17 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.624 0 N-CA-C 112.024 -0.431 . . . . 0.0 112.024 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 83.5 t60 69.94 100.07 0.06 Allowed 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.036 0.534 . . . . 0.0 110.908 -178.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 85.0 mtp -87.75 -156.01 0.33 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.197 177.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.9 m -78.78 -41.77 29.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.155 0.502 . . . . 0.0 110.725 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 82.65 -142.12 21.59 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.788 -0.72 . . . . 0.0 111.95 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.864 ' HD2' ' HA ' ' A' ' 9' ' ' VAL . 19.6 t80 -103.27 -7.74 20.9 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 177.263 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.454 ' HE3' ' OE2' ' A' ' 57' ' ' GLU . 37.7 ttpt 66.78 -73.57 0.07 Allowed 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.125 179.662 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 49.2 p-80 -88.9 48.58 1.65 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.726 0.774 . . . . 0.0 109.459 175.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.864 ' HA ' ' HD2' ' A' ' 6' ' ' PHE . 7.4 p -75.76 -30.46 21.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.241 -0.89 . . . . 0.0 109.84 -170.59 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 57.9 m -62.69 -20.52 64.95 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.466 -1.243 . . . . 0.0 110.999 173.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.672 ' HA ' ' HH ' ' A' ' 53' ' ' TYR . 35.4 m80 61.28 19.36 10.06 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 115.098 -0.956 . . . . 0.0 108.458 -163.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.502 HG22 HD11 ' A' ' 29' ' ' LEU . 7.2 p 45.11 -65.43 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 O-C-N 125.188 1.555 . . . . 0.0 113.909 -169.48 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 11' ' ' HIS . . . -177.57 33.89 0.08 OUTLIER Glycine 0 N--CA 1.445 -0.741 0 N-CA-C 110.302 -1.119 . . . . 0.0 110.302 -179.377 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 84.2 t90 -115.78 132.77 56.54 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.3 -0.45 . . . . 0.0 111.071 -174.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -121.87 144.61 41.37 Favored Pre-proline 0 C--N 1.323 -0.575 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 172.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -52.31 -37.07 70.59 Favored 'Trans proline' 0 N--CA 1.477 0.533 0 C-N-CA 123.955 3.104 . . . . 0.0 115.676 -167.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -98.42 -44.29 6.57 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -174.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.458 ' O ' ' HA ' ' A' ' 44' ' ' THR . 3.3 p-10 -93.05 -0.58 57.09 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.742 -174.543 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 75.51 -137.1 21.26 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.722 -0.752 . . . . 0.0 113.05 175.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.514 ' HE2' ' HB ' ' A' ' 52' ' ' ILE . 65.4 m-85 -85.02 135.37 34.04 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.034 0.445 . . . . 0.0 110.622 -178.242 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.431 ' OD1' ' HB3' ' A' ' 23' ' ' ASN . 12.0 t70 -73.27 97.63 2.5 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 175.178 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.628 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 7.4 p -60.19 -25.34 33.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.644 -175.689 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.431 ' HB3' ' OD1' ' A' ' 21' ' ' ASP . 7.1 t30 -69.29 -41.28 76.99 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.015 0.436 . . . . 0.0 110.425 178.268 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -98.7 18.5 16.73 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.767 -176.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.628 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 23.9 mt -65.8 129.99 41.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.265 0.555 . . . . 0.0 111.199 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -67.64 136.57 92.81 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.325 173.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -48.95 -30.89 18.8 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 123.974 3.116 . . . . 0.0 113.824 -179.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -77.16 -41.32 42.15 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 110.46 -0.2 . . . . 0.0 110.46 178.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.502 HD11 HG22 ' A' ' 12' ' ' VAL . 98.1 mt -64.36 -45.58 87.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.982 0.42 . . . . 0.0 110.151 175.651 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 30' ' ' ARG . 7.9 tpt85 -54.56 -42.55 71.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.394 178.064 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.425 ' HB3' ' HE3' ' A' ' 69' ' ' MET . 7.9 t -61.98 -53.64 52.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.09 177.655 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.414 ' HB2' ' HE1' ' A' ' 69' ' ' MET . 20.8 tp -57.42 -57.47 12.53 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 116.004 -0.544 . . . . 0.0 112.299 -175.011 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.425 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 18.4 m-30 -58.46 -41.9 86.23 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.716 -169.329 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.9 m -67.94 -29.6 68.7 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.458 178.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' A' ' 35' ' ' ARG . 14.9 mtp180 -71.38 -28.03 63.75 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.127 0.489 . . . . 0.0 110.485 174.233 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.47 1.5 54.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.615 -176.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.25 -20.85 45.62 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 121.243 -0.504 . . . . 0.0 111.872 -179.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.885 HD12 HD11 ' A' ' 52' ' ' ILE . 14.7 mt -62.58 105.53 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.144 0.497 . . . . 0.0 110.556 -179.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.7 m -94.58 -174.9 3.45 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.937 -178.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -51.23 -50.38 59.26 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 122.727 0.411 . . . . 0.0 111.512 -177.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.11 -50.01 72.27 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.496 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.648 ' HG3' ' HB3' ' B' ' 95' ' ' ALA . 42.2 mt-30 -61.4 -33.92 74.49 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -177.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.476 HD12 HD13 ' A' ' 25' ' ' LEU . 39.5 mt -74.11 -13.8 60.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.718 0.294 . . . . 0.0 111.355 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.458 ' HA ' ' O ' ' A' ' 18' ' ' ASN . 3.6 p -115.08 19.22 15.87 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.394 0.616 . . . . 0.0 110.344 176.587 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.01 143.66 32.28 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.439 176.142 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.79 -69.1 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -172.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -60.94 -45.65 93.86 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.408 -173.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.623 ' O ' HG13 ' A' ' 52' ' ' ILE . 16.8 m -51.97 -59.9 3.81 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 178.286 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.9 m -62.79 -35.91 81.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.821 -174.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -61.01 -39.92 91.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.936 0.398 . . . . 0.0 110.48 -178.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.54 HD12 HD11 ' B' ' 92' ' ' ILE . 63.9 mt -73.97 -36.54 64.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.142 179.427 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.885 HD11 HD12 ' A' ' 38' ' ' ILE . 28.8 mt -61.16 -44.24 97.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.935 0.398 . . . . 0.0 110.473 176.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.672 ' HH ' ' HA ' ' A' ' 11' ' ' HIS . 17.6 t80 -65.93 -40.81 91.73 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.936 179.131 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -60.17 -40.69 90.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.34 173.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.571 ' CZ ' HG13 ' B' ' 79' ' ' VAL . 38.9 t80 -59.84 -49.61 77.03 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.164 177.55 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.44 HG12 HG22 ' A' ' 65' ' ' VAL . 96.5 mt -57.82 -45.35 87.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.658 179.383 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.454 ' OE2' ' HE3' ' A' ' 7' ' ' LYS . 10.1 mm-40 -65.4 -40.39 93.36 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.333 176.304 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -63.27 -31.66 72.87 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.776 -178.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -78.53 0.17 27.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.995 0.426 . . . . 0.0 111.451 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.43 -14.97 10.78 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.354 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 133.79 178.91 15.91 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.669 178.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.408 ' O ' ' HG3' ' A' ' 66' ' ' ARG . 22.7 tp -60.09 -31.08 69.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.659 0.266 . . . . 0.0 111.624 -176.178 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.468 ' O ' ' HG2' ' A' ' 67' ' ' GLN . 1.8 tt0 -70.86 -42.43 70.12 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.862 -178.381 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.456 ' O ' ' HG3' ' A' ' 68' ' ' GLU . . . -59.56 -41.56 90.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.419 -174.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.538 HG11 HG11 ' B' ' 79' ' ' VAL . 82.7 t -63.69 -39.22 84.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.559 -178.028 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 66' ' ' ARG . 30.4 mtp180 -66.19 -29.99 70.37 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.386 179.199 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' A' ' 63' ' ' GLU . 15.4 mm-40 -74.8 -36.63 62.46 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.319 -179.119 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.978 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 19.1 mt-10 -62.14 -23.04 66.33 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.802 -175.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.425 ' HE3' ' HB3' ' A' ' 31' ' ' SER . 12.4 mmt -56.26 -36.69 68.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.443 0.64 . . . . 0.0 110.815 177.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.74 33.5 5.31 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.334 179.391 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.978 ' HB3' ' HA ' ' A' ' 68' ' ' GLU . 28.6 ttt180 -118.25 -67.83 0.96 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.628 -178.278 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 . . . . . 0 C--O 1.249 1.038 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.113 -170.21 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.8 0 N-CA-C 112.601 -0.2 . . . . 0.0 112.601 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . 0.786 ' HB3' ' HB2' ' B' ' 81' ' ' GLN . 74.8 m80 -143.25 59.13 1.4 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 176.623 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' MET . . . . . 0.914 ' HA ' ' HE3' ' B' ' 75' ' ' MET . 2.6 tpt -79.01 55.77 1.84 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.276 0.56 . . . . 0.0 111.463 -173.105 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . 0.849 ' HB2' ' HB3' ' B' ' 81' ' ' GLN . 3.6 mm? -118.26 125.45 27.88 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.621 177.169 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -85.66 34.39 0.48 Allowed 'Trans proline' 0 N--CA 1.46 -0.444 0 C-N-CA 123.048 2.498 . . . . 0.0 112.139 -179.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -163.88 -168.11 1.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.972 0.415 . . . . 0.0 111.618 -174.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . 0.571 HG13 ' CZ ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -46.41 -34.52 2.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 114.799 -1.091 . . . . 0.0 112.891 176.489 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -54.83 -41.42 70.67 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 -170.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' GLN . . . . . 0.849 ' HB3' ' HB2' ' B' ' 76' ' ' LEU . 3.2 pt20 -69.7 -32.82 71.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.548 0.689 . . . . 0.0 109.75 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . 0.438 ' HG3' ' HE1' ' A' ' 55' ' ' PHE . 17.2 tpt180 -76.13 -15.2 60.12 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.632 -1.167 . . . . 0.0 109.947 -176.266 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . 0.553 HD11 ' CD1' ' A' ' 38' ' ' ILE . 1.7 mt -84.12 -39.12 19.87 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.078 -179.597 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 63.8 mtt -58.65 -35.28 72.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.156 0.503 . . . . 0.0 109.797 178.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -73.55 -36.16 65.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.592 178.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . 0.438 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 27.3 t60 -71.69 -36.43 70.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.481 -171.34 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.643 HD11 HG13 ' B' ' 92' ' ' ILE . 0.6 OUTLIER -77.42 -38.22 50.15 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.866 177.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.37 -24.16 66.28 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -172.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -83.98 4.11 31.26 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -174.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -125.62 -97.36 0.42 Allowed 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 119.964 -0.694 . . . . 0.0 112.107 -178.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -166.48 56.33 0.24 Allowed Glycine 0 N--CA 1.453 -0.187 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -177.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . 0.643 HG13 HD11 ' B' ' 87' ' ' LEU . 22.2 mm -96.58 147.74 5.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.241 -0.479 . . . . 0.0 110.963 -173.333 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -100.3 104.19 28.21 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 120.968 0.413 . . . . 0.0 110.215 176.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 94' ' ' PRO . . . . . 0.531 ' HD3' ' O ' ' B' ' 92' ' ' ILE . 19.0 Cg_exo -63.78 136.94 55.91 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 123.079 2.519 . . . . 0.0 111.94 177.509 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . 0.648 ' HB3' ' HG3' ' A' ' 42' ' ' GLN . . . -80.02 6.39 11.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.288 0.566 . . . . 0.0 110.81 -178.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 -70.03 -22.84 63.06 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.038 174.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -151.03 140.11 21.1 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.681 -179.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 98' ' ' MET . . . . . . . . . . . . . 54.8 mtt 46.8 60.59 3.27 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 123.76 0.662 . . . . 0.0 111.899 174.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 99' ' ' ALA . . . . . 0.624 ' HB1' ' HA ' ' B' ' 95' ' ' ALA . . . -102.59 80.82 1.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -173.263 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -143.99 137.42 27.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.875 0.369 . . . . 0.0 110.419 173.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -124.49 72.7 1.21 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.454 0.645 . . . . 0.0 110.071 177.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' ILE . . . . . 0.634 ' H ' HD12 ' B' ' 102' ' ' ILE . 4.5 mp -62.1 124.5 82.33 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.354 -179.003 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -52.73 122.59 11.23 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.941 2.427 . . . . 0.0 112.003 178.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 104' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -64.51 113.13 2.16 Favored 'Trans proline' 0 N--CA 1.462 -0.376 0 C-N-CA 122.422 2.082 . . . . 0.0 112.246 -178.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -85.83 120.59 72.86 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 115.789 -0.642 . . . . 0.0 109.978 178.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.36 -39.08 80.3 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 123.24 2.627 . . . . 0.0 111.854 -179.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 26.8 p-10 -164.06 144.02 8.07 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 175.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 6.8 m0 . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.165 -0.921 . . . . 0.0 110.256 -175.672 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.619 0 N-CA-C 111.989 -0.445 . . . . 0.0 111.989 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -142.94 153.1 42.72 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 122.793 -0.239 . . . . 0.0 110.694 -177.569 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 24.7 mmt 60.25 34.24 20.95 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.79 0.681 . . . . 0.0 111.304 177.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.7 p -80.68 -6.46 58.42 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.898 178.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 79.22 -112.78 3.52 Favored Glycine 0 N--CA 1.443 -0.864 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.803 -179.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.4 ' HE2' ' HB2' ' A' ' 26' ' ' ASP . 91.3 m-85 -91.68 112.58 24.56 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.106 0.479 . . . . 0.0 110.49 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt -81.01 52.66 1.81 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.718 -179.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 56.79 50.57 12.25 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.018 -174.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.533 HG21 ' H ' ' A' ' 11' ' ' HIS . 7.1 p -103.84 128.53 57.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 175.536 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 1.015 ' HB3' ' HH ' ' A' ' 53' ' ' TYR . 29.4 m -75.15 5.84 4.96 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.859 0.362 . . . . 0.0 111.746 -174.426 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.533 ' H ' HG21 ' A' ' 9' ' ' VAL . 7.3 t-80 -68.53 -40.61 80.67 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 172.593 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.493 HG22 ' O ' ' A' ' 12' ' ' VAL . 12.6 p 39.39 34.6 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 124.797 1.239 . . . . 0.0 113.858 171.164 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 56.22 24.52 44.71 Favored Glycine 0 CA--C 1.521 0.455 0 C-N-CA 121.277 -0.487 . . . . 0.0 112.891 179.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.512 ' CZ2' ' HA ' ' A' ' 16' ' ' PRO . 67.0 t90 -116.33 139.15 50.71 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.819 0.342 . . . . 0.0 110.643 -175.627 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -123.69 134.59 25.4 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 174.491 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.512 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 1.0 OUTLIER -42.79 -39.43 7.39 Favored 'Trans proline' 0 CA--C 1.535 0.557 0 C-N-CA 124.28 3.32 . . . . 0.0 115.675 -170.156 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -103.47 -43.56 5.37 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 122.143 -0.348 . . . . 0.0 111.934 -173.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -85.86 -7.88 58.43 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -175.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.402 ' HA3' ' HA ' ' A' ' 44' ' ' THR . . . 80.62 -154.3 35.98 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.781 -0.723 . . . . 0.0 113.11 175.153 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -78.91 131.88 36.55 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -76.09 84.29 2.94 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 174.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.696 ' HA ' ' HB3' ' A' ' 25' ' ' LEU . 24.8 m -54.07 -25.78 13.53 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.556 -175.517 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 30.8 p-10 -80.9 -10.09 59.76 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 120.967 0.413 . . . . 0.0 110.962 -179.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -127.61 19.09 6.77 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 175.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.696 ' HB3' ' HA ' ' A' ' 22' ' ' VAL . 0.2 OUTLIER -94.1 133.94 37.05 Favored 'General case' 0 N--CA 1.435 -1.202 0 CA-C-N 114.809 -1.087 . . . . 0.0 110.285 -168.924 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.458 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 11.9 t70 -58.3 129.62 83.52 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.392 -176.318 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 26' ' ' ASP . 52.3 Cg_exo -55.53 -29.81 71.21 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 124.076 3.184 . . . . 0.0 114.148 -177.183 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -76.37 -43.63 39.89 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 -178.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.524 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 95.8 mt -59.89 -43.78 94.61 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 171.251 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -56.0 -43.38 77.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.676 179.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.5 t -60.05 -51.1 71.1 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.063 175.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.956 HD22 HG12 ' B' ' 79' ' ' VAL . 1.3 tm? -59.47 -55.4 35.05 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.948 -1.024 . . . . 0.0 111.592 -174.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.537 ' HB3' HD23 ' A' ' 43' ' ' LEU . 14.5 m-85 -59.96 -43.89 94.77 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.044 -178.116 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.6 t -65.05 -33.79 76.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.653 178.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.5 mtt180 -65.64 -28.05 68.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.102 0.477 . . . . 0.0 110.998 175.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.88 10.09 30.19 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.32 -177.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.08 -13.35 65.03 Favored Glycine 0 C--N 1.331 0.251 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.972 175.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.606 HD12 ' CD1' ' A' ' 52' ' ' ILE . 6.8 mt -70.92 112.55 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.878 0.37 . . . . 0.0 111.133 -179.599 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.4 t -73.85 165.21 25.52 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.276 176.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -59.63 -40.72 88.54 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.947 0.404 . . . . 0.0 110.921 -179.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.62 -30.17 71.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.503 0.668 . . . . 0.0 110.491 177.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.628 ' HG3' HG23 ' A' ' 48' ' ' THR . 2.6 tp-100 -76.81 -22.89 52.97 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.948 -179.281 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.537 HD23 ' HB3' ' A' ' 33' ' ' PHE . 87.0 mt -72.67 -18.71 61.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.533 175.408 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.402 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 52.1 p -97.89 2.68 49.46 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.307 0.575 . . . . 0.0 110.104 176.693 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.633 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 28.8 t70 -72.11 138.61 47.87 Favored 'General case' 0 CA--C 1.522 -0.115 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.858 175.656 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.43 -62.72 1.58 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -174.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.5 pm0 -70.31 -43.46 70.29 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 121.326 -0.15 . . . . 0.0 111.324 -176.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.633 ' HB ' ' HB3' ' A' ' 45' ' ' ASP . 38.9 m -54.54 -55.68 26.73 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.402 ' HB3' ' O ' ' A' ' 43' ' ' LEU . 92.5 p -66.35 -41.76 89.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.676 0.274 . . . . 0.0 111.219 -175.023 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -56.83 -43.57 81.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.701 -178.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.863 HD11 HD11 ' B' ' 92' ' ' ILE . 85.3 mt -81.06 -24.99 37.43 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.246 -176.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.606 ' CD1' HD12 ' A' ' 38' ' ' ILE . 45.9 mt -63.23 -45.37 98.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.373 168.334 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 1.015 ' HH ' ' HB3' ' A' ' 10' ' ' SER . 24.6 t80 -60.64 -45.86 92.48 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.897 0.38 . . . . 0.0 110.248 177.115 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -57.32 -38.41 73.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.369 174.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 1.012 ' HE1' ' HG3' ' B' ' 82' ' ' ARG . 46.5 t80 -59.39 -46.91 87.35 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.363 176.042 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 52' ' ' ILE . 77.4 mt -64.31 -38.97 83.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.368 -177.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -66.47 -37.01 84.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.245 175.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.453 ' HB3' ' O ' ' A' ' 55' ' ' PHE . 20.7 t70 -58.41 -33.4 69.62 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.345 178.635 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.451 ' NE2' ' HG2' ' B' ' 82' ' ' ARG . 89.4 mm-40 -78.89 -19.97 50.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.375 -179.277 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 117.4 8.02 11.69 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.578 -0.82 . . . . 0.0 111.973 -176.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.67 -170.2 13.31 Favored Glycine 0 N--CA 1.44 -1.04 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.45 177.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.42 HD23 HG21 ' A' ' 12' ' ' VAL . 9.3 mp -71.74 -33.76 68.96 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.638 0.256 . . . . 0.0 111.57 -173.595 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -70.17 -28.94 65.73 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.898 0.38 . . . . 0.0 110.639 -177.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.457 ' O ' ' HG2' ' A' ' 68' ' ' GLU . . . -68.68 -51.06 45.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.789 179.699 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 45.9 t -59.52 -36.96 67.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.455 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 65.9 mtt180 -58.6 -31.2 67.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.226 176.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -87.11 -29.3 21.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.469 -177.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.869 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 7.5 mm-40 -63.74 -20.92 66.12 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.656 0.265 . . . . 0.0 110.72 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.521 ' HE1' ' HB2' ' A' ' 32' ' ' LEU . 9.5 mmt -55.13 -19.9 8.77 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.653 178.225 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -136.0 22.13 3.28 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 121.309 0.576 . . . . 0.0 110.222 175.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.869 ' HB3' ' HA ' ' A' ' 68' ' ' GLU . 49.1 ttt180 -115.56 -77.94 0.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.74 -177.368 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.535 ' HG2' ' HG2' ' A' ' 71' ' ' ARG . 11.8 pt20 . . . . . 0 C--O 1.244 0.801 0 CA-C-O 118.033 -0.984 . . . . 0.0 109.662 -176.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.586 0 N-CA-C 112.065 -0.414 . . . . 0.0 112.065 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . 0.609 ' HB2' ' HB2' ' B' ' 81' ' ' GLN . 61.7 m-70 -101.51 -97.25 0.27 Allowed 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 174.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' MET . . . . . 0.451 ' HB2' ' HE2' ' B' ' 84' ' ' MET . 75.0 mtm -101.55 -11.85 18.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.495 0.664 . . . . 0.0 109.435 170.65 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . 0.406 HD21 ' CE ' ' B' ' 84' ' ' MET . 3.9 mm? -126.48 150.82 71.65 Favored Pre-proline 0 C--N 1.327 -0.413 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.124 175.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -93.36 9.88 2.26 Favored 'Trans proline' 0 N--CA 1.455 -0.77 0 C-N-CA 123.357 2.704 . . . . 0.0 112.222 178.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' ASP . . . . . 0.566 ' O ' ' HG2' ' B' ' 81' ' ' GLN . 5.2 m-20 -123.06 -174.04 2.85 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.568 -178.072 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . 0.956 HG12 HD22 ' A' ' 32' ' ' LEU . 2.3 p -61.74 -16.67 15.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.116 0.484 . . . . 0.0 111.067 177.586 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -54.56 -30.15 53.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.125 0.488 . . . . 0.0 111.153 176.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' GLN . . . . . 0.609 ' HB2' ' HB2' ' B' ' 74' ' ' HIS . 11.1 pt20 -70.84 -36.22 72.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.634 -178.786 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . 1.012 ' HG3' ' HE1' ' A' ' 55' ' ' PHE . 23.4 tpt180 -75.73 -20.74 58.12 Favored 'General case' 0 N--CA 1.44 -0.927 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.547 -176.108 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . 0.52 HD13 ' CG ' ' A' ' 55' ' ' PHE . 14.5 tp -81.89 -41.84 20.38 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.557 -179.639 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' MET . . . . . 0.582 ' HE1' ' HA ' ' B' ' 81' ' ' GLN . 60.7 mtm -61.22 -40.33 93.6 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.972 0.415 . . . . 0.0 110.669 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . 0.527 ' O ' ' HG2' ' B' ' 89' ' ' GLU . 15.2 mm100 -65.8 -42.91 90.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.58 178.331 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . 0.432 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 78.4 t60 -66.48 -33.18 75.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.336 -175.347 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.626 HD22 HG12 ' B' ' 92' ' ' ILE . 87.5 mt -77.65 -39.43 45.12 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.052 0.453 . . . . 0.0 110.696 179.478 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.27 -14.22 36.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.712 179.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.527 ' HG2' ' O ' ' B' ' 85' ' ' GLN . 21.7 mm-40 -73.25 -18.72 61.2 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -126.07 -24.19 3.78 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 -173.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 108.25 48.19 0.89 Allowed Glycine 0 CA--C 1.518 0.227 0 C-N-CA 120.164 -1.017 . . . . 0.0 113.475 176.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . 0.863 HD11 HD11 ' A' ' 51' ' ' LEU . 1.7 mp -64.2 145.79 13.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 122.44 0.296 . . . . 0.0 110.807 173.105 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -66.03 127.62 93.29 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.363 177.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 94' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -62.34 129.71 27.77 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.691 2.26 . . . . 0.0 111.665 175.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . 0.579 ' HB1' HE21 ' A' ' 42' ' ' GLN . . . -109.6 3.27 20.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.289 -0.414 . . . . 0.0 112.035 -175.021 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . 0.427 ' HA ' ' HD2' ' B' ' 96' ' ' ARG . 17.4 tpt180 -70.44 -30.73 67.65 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.037 0.446 . . . . 0.0 109.939 174.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -92.78 -174.26 3.57 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 175.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 98' ' ' MET . . . . . . . . . . . . . 56.7 ttp -66.81 -71.0 0.21 Allowed 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 121.087 -0.245 . . . . 0.0 110.892 -177.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . 60.96 -80.9 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.146 0.904 . . . . 0.0 111.746 -178.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 60.56 -178.11 0.1 Allowed 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.556 0.693 . . . . 0.0 111.581 -176.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 40.9 m80 -135.7 113.35 10.89 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 175.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 50.6 mm -69.23 112.6 12.3 Favored Pre-proline 0 C--N 1.322 -0.611 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 177.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 103' ' ' PRO . . . . . 0.436 ' HA ' ' HD3' ' B' ' 104' ' ' PRO . 45.6 Cg_endo -68.67 139.46 44.26 Favored 'Trans proline' 0 N--CA 1.462 -0.381 0 C-N-CA 122.521 2.148 . . . . 0.0 112.217 -175.553 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 104' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' B' ' 103' ' ' PRO . 22.2 Cg_exo -64.71 115.22 3.1 Favored 'Trans proline' 0 N--CA 1.462 -0.381 0 C-N-CA 122.463 2.109 . . . . 0.0 111.369 177.448 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.82 126.6 92.82 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.087 179.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 106' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -49.59 113.78 1.09 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 123.164 2.576 . . . . 0.0 112.489 -177.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.63 147.52 43.69 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.268 -177.298 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 9.7 m-90 . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.236 -0.888 . . . . 0.0 109.592 175.403 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.538 HG22 ' O ' ' A' ' 12' ' ' VAL . 14.1 p . . . . . 0 CA--C 1.556 1.187 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 53.28 29.06 36.6 Favored Glycine 0 CA--C 1.522 0.474 0 O-C-N 121.727 -0.608 . . . . 0.0 112.804 -177.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.577 ' CH2' ' HA ' ' A' ' 16' ' ' PRO . 59.5 t90 -120.76 143.57 48.74 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 122.888 0.475 . . . . 0.0 110.18 -175.514 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -111.13 129.03 24.43 Favored Pre-proline 0 C--N 1.318 -0.785 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 174.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.577 ' HA ' ' CH2' ' A' ' 14' ' ' TRP . 4.2 Cg_endo -46.78 -32.45 12.28 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 124.287 3.325 . . . . 0.0 114.231 -174.736 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -105.56 -53.49 2.64 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -178.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -92.57 14.24 17.48 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.67 0.618 . . . . 0.0 112.67 -169.645 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.523 ' HA2' ' OG ' ' A' ' 49' ' ' SER . . . 82.2 -166.62 46.37 Favored Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.598 -0.811 . . . . 0.0 113.906 169.614 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.567 ' HA ' ' HA ' ' A' ' 14' ' ' TRP . 87.8 m-85 -70.55 130.14 41.07 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.142 -0.529 . . . . 0.0 110.703 -178.441 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -74.69 91.76 2.4 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 175.36 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.697 ' HA ' ' HB3' ' A' ' 25' ' ' LEU . 31.5 m -60.63 -11.74 4.2 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -173.124 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -83.93 -32.72 24.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.166 0.508 . . . . 0.0 109.78 175.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -109.94 28.51 8.52 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.003 177.289 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.697 ' HB3' ' HA ' ' A' ' 22' ' ' VAL . 0.7 OUTLIER -98.15 123.71 42.34 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-N 115.133 -0.939 . . . . 0.0 109.576 -172.29 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.55 ' OD2' ' HB2' ' A' ' 28' ' ' ASP . 28.6 t70 -58.67 129.47 84.78 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.114 -176.48 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' A' ' 26' ' ' ASP . 51.9 Cg_exo -56.05 -34.58 92.94 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 123.954 3.103 . . . . 0.0 113.682 -178.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.55 ' HB2' ' OD2' ' A' ' 26' ' ' ASP . 6.4 m-20 -67.89 -44.76 76.25 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 120.993 0.425 . . . . 0.0 109.889 178.322 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.601 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 96.9 mt -59.31 -46.78 87.64 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.647 172.742 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.0 ttt180 -56.31 -39.9 73.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.815 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.419 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 8.1 t -57.84 -53.55 57.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.728 176.409 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.826 HD13 HG13 ' B' ' 79' ' ' VAL . 45.0 tp -58.32 -50.91 71.95 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.058 -0.974 . . . . 0.0 111.572 -177.76 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.601 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 17.2 m-30 -62.58 -42.09 99.34 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.386 -173.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.7 t -64.95 -33.49 76.17 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.725 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 31' ' ' SER . 98.8 mtt180 -67.91 -45.82 73.32 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.371 0.605 . . . . 0.0 110.103 175.697 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.91 -23.81 67.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.617 -1.174 . . . . 0.0 111.628 -176.109 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 115.0 -17.48 17.32 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.896 -0.669 . . . . 0.0 111.553 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.532 ' CD1' HD13 ' B' ' 83' ' ' LEU . 6.1 mt -65.06 111.6 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 CA-C-N 115.098 -0.551 . . . . 0.0 110.384 178.709 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.9 t -91.46 179.94 5.54 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.368 178.626 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.526 ' HG3' HG11 ' A' ' 22' ' ' VAL . 45.0 tt0 -54.16 -46.05 72.21 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 122.897 0.479 . . . . 0.0 111.058 -177.392 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.92 -53.77 54.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.179 176.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.622 ' HB3' HG21 ' A' ' 48' ' ' THR . 50.1 mt-30 -57.59 -41.05 80.39 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.991 -0.284 . . . . 0.0 111.08 -179.427 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.5 mt -60.73 -26.24 67.04 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.476 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.9 p -102.61 13.36 34.68 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.141 0.496 . . . . 0.0 110.818 -177.039 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -93.9 152.31 18.96 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.783 176.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.46 -69.2 0.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -174.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -65.85 -37.05 85.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.758 -172.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.65 ' HA ' HG13 ' B' ' 92' ' ' ILE . 35.7 m -58.77 -60.1 4.38 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.696 179.328 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.523 ' OG ' ' HA2' ' A' ' 19' ' ' GLY . 96.8 p -66.91 -36.26 81.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 0.0 111.478 -174.52 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.4 tttp -56.57 -43.94 80.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.094 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.579 HD12 HD11 ' B' ' 92' ' ' ILE . 42.2 mt -80.36 -22.85 40.97 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.551 -179.058 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.624 ' O ' ' HB3' ' A' ' 55' ' ' PHE . 59.9 mt -65.13 -42.81 95.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.639 0.257 . . . . 0.0 110.827 170.524 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -64.03 -46.61 83.69 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.264 -0.575 . . . . 0.0 110.171 176.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -56.5 -38.96 72.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.184 0.516 . . . . 0.0 110.107 175.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.632 ' CZ ' ' HG ' ' B' ' 83' ' ' LEU . 32.6 t80 -54.72 -56.69 16.53 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.349 -0.842 . . . . 0.0 110.713 173.465 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.729 HG21 HD23 ' A' ' 62' ' ' LEU . 68.7 mt -59.12 -37.87 70.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.231 -177.363 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -75.0 -23.96 58.34 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.707 -177.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -64.93 -39.25 93.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -85.57 1.99 46.77 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 120.66 -0.416 . . . . 0.0 111.576 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.32 -26.26 7.45 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.185 -1.007 . . . . 0.0 113.802 175.381 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 148.72 -165.6 29.2 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 119.679 -1.248 . . . . 0.0 113.536 178.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.729 HD23 HG21 ' A' ' 56' ' ' ILE . 96.7 mt -67.24 -50.36 60.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.858 0.361 . . . . 0.0 111.429 -174.635 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.575 ' O ' ' HG2' ' A' ' 67' ' ' GLN . 6.1 mm-40 -61.07 -32.73 72.37 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.342 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.58 -50.38 67.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.649 -175.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.958 ' HA ' ' HG3' ' A' ' 68' ' ' GLU . 5.3 m -71.2 -26.51 27.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.031 0.444 . . . . 0.0 110.424 -178.001 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.484 ' O ' ' HB2' ' A' ' 69' ' ' MET . 63.3 mtt180 -66.35 -35.65 80.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.909 174.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.575 ' HG2' ' O ' ' A' ' 63' ' ' GLU . 14.4 mm100 -69.3 -34.8 75.23 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.5 177.541 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.958 ' HG3' ' HA ' ' A' ' 65' ' ' VAL . 3.3 mt-10 -59.63 -29.99 68.4 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.263 0.352 . . . . 0.0 110.278 177.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.484 ' HB2' ' O ' ' A' ' 66' ' ' ARG . 36.8 mtt -56.39 -36.34 68.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.962 0.41 . . . . 0.0 110.784 178.363 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.0 mpt_? . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.275 -178.314 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.826 HG13 HD13 ' A' ' 32' ' ' LEU . 2.4 p . . . . . 0 CA--C 1.541 0.631 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.33 -32.28 73.02 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -176.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 81' ' ' GLN . . . . . 0.523 ' HG3' ' N ' ' B' ' 82' ' ' ARG . 2.4 pt20 -65.89 -35.87 81.83 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.414 0.626 . . . . 0.0 109.391 177.375 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 82' ' ' ARG . . . . . 0.523 ' N ' ' HG3' ' B' ' 81' ' ' GLN . 4.6 tpp180 -63.25 -23.73 67.55 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 114.73 -1.123 . . . . 0.0 110.485 -176.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 0.632 ' HG ' ' CZ ' ' A' ' 55' ' ' PHE . 1.8 mt -82.03 -37.15 26.94 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.878 -176.59 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 59.5 mtt -59.64 -35.9 75.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.628 -178.085 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -71.03 -40.48 71.71 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.775 178.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 86' ' ' HIS . . . . . 0.485 ' HA ' ' OE2' ' B' ' 89' ' ' GLU . 30.7 t60 -73.96 -29.02 61.77 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -169.53 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 87' ' ' LEU . . . . . 0.609 ' HA ' HD13 ' B' ' 92' ' ' ILE . 0.3 OUTLIER -80.66 -38.7 28.58 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.17 -0.612 . . . . 0.0 110.075 174.45 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.53 -32.06 71.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.7 -176.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 89' ' ' GLU . . . . . 0.485 ' OE2' ' HA ' ' B' ' 86' ' ' HIS . 13.0 pt-20 -74.37 0.15 15.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.884 -177.15 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 42.4 m80 -122.21 -64.19 1.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.575 -0.45 . . . . 0.0 112.191 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 148.98 32.19 0.05 OUTLIER Glycine 0 C--N 1.329 0.185 0 C-N-CA 120.422 -0.894 . . . . 0.0 112.929 -179.336 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 92' ' ' ILE . . . . . 0.65 HG13 ' HA ' ' A' ' 48' ' ' THR . 1.7 mp -59.37 143.96 13.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.922 0.391 . . . . 0.0 111.626 178.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 . . . . . 0 C--N 1.326 -0.414 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.084 -179.581 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.815 HG22 HD11 ' A' ' 62' ' ' LEU . 44.0 t . . . . . 0 N--CA 1.47 0.527 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.0 13.22 34.52 Favored Glycine 0 N--CA 1.447 -0.609 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 -176.374 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 69.2 t90 -95.77 125.54 40.41 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 120.958 0.409 . . . . 0.0 110.762 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -108.24 133.76 20.43 Favored Pre-proline 0 C--N 1.319 -0.719 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.354 174.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -55.31 -26.68 53.67 Favored 'Trans proline' 0 CA--C 1.529 0.243 0 C-N-CA 123.699 2.933 . . . . 0.0 113.85 -175.492 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -104.9 -36.26 7.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.755 0.312 . . . . 0.0 111.766 -179.051 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -99.39 -7.28 26.39 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -172.254 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.499 ' HA3' ' HA ' ' A' ' 44' ' ' THR . . . 79.94 -156.5 40.17 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.264 178.687 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.604 ' HB3' HD21 ' A' ' 25' ' ' LEU . 95.6 m-85 -77.54 124.81 28.4 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 178.509 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -65.52 100.7 0.52 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.269 0.557 . . . . 0.0 109.588 178.399 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.67 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 20.5 m -70.91 -4.8 4.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.953 -172.508 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -78.95 -40.93 30.54 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.025 0.44 . . . . 0.0 109.948 179.244 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -115.68 32.5 6.04 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.746 -177.425 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.67 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 29.4 mt -65.99 129.19 38.94 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.064 174.534 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.441 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 1.1 m-20 -63.59 134.51 95.9 Favored Pre-proline 0 C--N 1.322 -0.614 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 173.384 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.479 ' O ' ' HB2' ' A' ' 31' ' ' SER . 82.5 Cg_exo -48.1 -31.94 17.53 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 124.178 3.252 . . . . 0.0 113.574 -174.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -72.2 -51.85 19.24 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.956 178.45 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 96.5 mt -58.47 -45.3 88.92 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.809 0.338 . . . . 0.0 110.535 176.211 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -60.84 -44.95 96.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.626 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.479 ' HB2' ' O ' ' A' ' 27' ' ' PRO . 1.4 t -60.15 -46.73 88.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.25 178.22 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.582 HD21 HG23 ' B' ' 79' ' ' VAL . 1.3 tm? -66.51 -56.21 11.95 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.825 -175.024 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -58.31 -42.97 87.89 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.423 -175.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 70.7 m -70.6 -19.21 62.87 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.002 177.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 45.3 ttp180 -90.14 -9.27 48.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.467 0.651 . . . . 0.0 109.4 176.165 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.571 ' O ' ' HG2' ' B' ' 84' ' ' MET . . . -96.76 6.49 48.58 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.94 177.574 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.0 -7.82 80.09 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.62 176.155 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.634 HD13 ' CD1' ' A' ' 52' ' ' ILE . 6.2 mt -75.02 105.96 4.4 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 CA-C-O 120.864 0.364 . . . . 0.0 110.427 179.19 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.6 m -69.03 161.33 29.22 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.187 177.172 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -52.95 -45.92 67.92 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.95 0.405 . . . . 0.0 110.884 -175.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.06 -46.78 87.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.131 178.121 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.943 ' HG2' HG21 ' A' ' 48' ' ' THR . 36.6 tt0 -61.35 -33.29 73.39 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.578 0.704 . . . . 0.0 110.224 -179.234 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.487 ' HG ' ' HB2' ' A' ' 20' ' ' PHE . 19.0 tp -68.41 -19.39 64.6 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.711 -179.035 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.499 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 6.8 p -108.38 12.94 25.94 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.869 179.439 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -86.06 146.05 26.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.053 172.369 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.4 -69.54 0.16 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -169.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -66.2 -39.98 90.04 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 121.152 -0.219 . . . . 0.0 111.37 -173.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.943 HG21 ' HG2' ' A' ' 42' ' ' GLN . 24.7 m -52.1 -58.61 6.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.653 0.263 . . . . 0.0 111.459 177.224 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.513 ' HA ' HD12 ' A' ' 52' ' ' ILE . 79.8 p -64.61 -38.02 89.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.013 0.435 . . . . 0.0 110.998 -176.718 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -61.33 -38.12 85.77 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.09 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.957 HD12 HD11 ' B' ' 92' ' ' ILE . 68.4 mt -80.42 -26.96 38.16 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.274 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.634 ' CD1' HD13 ' A' ' 38' ' ' ILE . 81.6 mt -62.54 -45.19 99.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.049 0.452 . . . . 0.0 109.918 168.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.475 ' HE1' HG21 ' A' ' 12' ' ' VAL . 26.1 t80 -61.0 -40.9 95.3 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.85 178.581 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -60.27 -46.62 89.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.251 173.098 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 1.048 ' HE1' ' HG3' ' B' ' 82' ' ' ARG . 55.4 t80 -53.48 -49.42 67.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.261 -0.882 . . . . 0.0 111.532 176.602 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.709 HG21 HD23 ' A' ' 62' ' ' LEU . 99.3 mt -59.5 -40.64 82.4 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.884 0 CA-C-N 115.331 -0.849 . . . . 0.0 111.697 -175.21 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -67.08 -38.05 85.05 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 178.299 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -55.79 -39.85 71.84 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.277 0.56 . . . . 0.0 110.484 177.012 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.501 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 12.2 mm100 -80.16 -18.24 50.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.333 -176.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.11 4.38 12.44 Favored Glycine 0 CA--C 1.52 0.387 0 C-N-CA 120.719 -0.753 . . . . 0.0 113.357 179.212 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 111.47 178.28 20.24 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.285 179.13 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.815 HD11 HG22 ' A' ' 12' ' ' VAL . 80.3 mt -59.13 -41.21 87.69 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.234 0.54 . . . . 0.0 110.863 -176.586 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.467 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 32.3 mp0 -64.02 -29.23 70.4 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.554 -176.255 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.54 -47.11 43.41 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.381 -177.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.771 ' HB ' HG11 ' B' ' 79' ' ' VAL . 1.5 m -66.95 -25.89 35.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-O 121.113 0.482 . . . . 0.0 110.267 -176.33 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -62.27 -36.73 82.99 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.099 173.434 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' A' ' 63' ' ' GLU . 87.0 mt-30 -74.75 -41.0 60.92 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.915 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.764 ' HG3' ' HA ' ' A' ' 65' ' ' VAL . 1.9 mm-40 -57.07 -28.12 62.31 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.576 -175.262 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 31.7 mtt -54.39 -36.34 63.81 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.228 0.537 . . . . 0.0 110.905 175.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.218 178.27 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.771 HG11 ' HB ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.223 -0.333 0 N-CA-C 112.416 0.525 . . . . 0.0 112.416 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.586 ' O ' ' HG3' ' B' ' 84' ' ' MET . . . -47.92 -62.35 1.51 Allowed 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 -175.598 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.1 -33.69 68.05 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 121.886 -0.509 . . . . 0.0 110.889 -179.31 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 82' ' ' ARG . . . . . 1.048 ' HG3' ' HE1' ' A' ' 55' ' ' PHE . 18.7 tpt180 -58.32 -33.39 69.45 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.581 0.705 . . . . 0.0 110.119 177.433 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 0.521 HD13 ' CG ' ' A' ' 55' ' ' PHE . 32.0 tp -82.5 -44.37 16.05 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.049 179.71 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 84' ' ' MET . . . . . 0.586 ' HG3' ' O ' ' B' ' 80' ' ' ALA . 67.6 mtt -46.88 -53.6 11.79 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 121.257 0.551 . . . . 0.0 111.241 -179.373 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -71.87 -26.91 62.54 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.829 -175.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 86' ' ' HIS . . . . . 0.407 ' HA ' ' HG2' ' B' ' 89' ' ' GLU . 74.1 t60 -68.9 -18.12 64.07 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.326 -178.416 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 87' ' ' LEU . . . . . 0.885 HD12 HG13 ' B' ' 92' ' ' ILE . 1.7 mm? -84.29 -46.5 11.73 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.218 0.532 . . . . 0.0 109.868 171.38 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.07 -16.83 63.19 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.512 -0.767 . . . . 0.0 112.326 -174.461 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 89' ' ' GLU . . . . . 0.426 ' HG3' ' ND1' ' B' ' 90' ' ' HIS . 8.2 pt-20 -78.42 -5.87 53.63 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.666 0.247 . . . . 0.0 111.666 179.175 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 90' ' ' HIS . . . . . 0.426 ' ND1' ' HG3' ' B' ' 89' ' ' GLU . 72.6 m80 -117.13 -73.48 0.64 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -177.149 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 161.18 66.12 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 -173.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 92' ' ' ILE . . . . . 0.957 HD11 HD12 ' A' ' 51' ' ' LEU . 19.6 mm -107.89 142.15 21.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.195 -0.503 . . . . 0.0 111.654 -173.357 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 22.6 mp0 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.491 176.465 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.598 HG11 HD21 ' A' ' 62' ' ' LEU . 17.4 t . . . . . 0 CA--C 1.534 0.353 0 CA-C-O 120.964 0.412 . . . . 0.0 111.898 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 64.0 10.78 41.64 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 121.047 -0.597 . . . . 0.0 112.055 -178.615 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.478 ' CZ2' ' HA ' ' A' ' 16' ' ' PRO . 70.4 t90 -102.89 132.56 49.02 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.876 0.369 . . . . 0.0 111.087 -177.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.707 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . 1.6 t70 -112.48 135.29 21.47 Favored Pre-proline 0 C--N 1.324 -0.536 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 174.334 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.478 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 84.2 Cg_exo -45.27 -57.74 1.96 Allowed 'Trans proline' 0 CA--C 1.533 0.452 0 C-N-CA 123.853 3.035 . . . . 0.0 114.326 -172.484 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -92.49 -24.01 18.93 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.625 -174.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.707 ' HB3' ' HB3' ' A' ' 15' ' ' ASP . 54.2 t30 -89.93 -31.84 17.09 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.527 -172.854 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.55 -164.03 18.84 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.989 -0.624 . . . . 0.0 111.891 -179.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.478 ' HB3' HD21 ' A' ' 25' ' ' LEU . 35.5 m-85 -75.68 134.22 40.61 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 177.215 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.418 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 11.8 t0 -78.18 113.92 16.59 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 175.706 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.629 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 4.5 m -69.43 -9.74 12.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.771 -177.751 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -82.46 -46.67 13.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.281 174.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -102.65 42.09 1.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.279 178.488 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.629 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 15.3 mt -76.0 125.13 28.54 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.309 174.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.584 ' HB3' HD22 ' A' ' 29' ' ' LEU . 7.3 t70 -55.68 132.6 72.01 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.875 175.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 26' ' ' ASP . 73.5 Cg_exo -49.47 -34.31 32.85 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 124.074 3.183 . . . . 0.0 113.978 -175.709 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -86.36 -39.59 16.28 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 -177.586 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.762 HD11 HD22 ' A' ' 62' ' ' LEU . 7.9 mp -53.72 -49.39 68.22 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 120.919 0.39 . . . . 0.0 110.689 169.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -53.32 -43.78 67.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.125 179.345 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.8 t -64.23 -49.87 70.24 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.449 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.1 tp -63.86 -51.52 64.23 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.134 -175.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.574 ' HB3' ' HB ' ' A' ' 38' ' ' ILE . 14.3 m-30 -61.05 -30.71 70.49 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.304 -173.478 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.3 t -63.16 -42.22 99.39 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 121.095 0.474 . . . . 0.0 110.031 175.044 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 47.9 mtt180 -65.8 -39.56 91.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.925 176.052 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.47 -10.56 59.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.254 -0.884 . . . . 0.0 111.669 -175.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.91 -10.9 66.2 Favored Glycine 0 C--N 1.33 0.241 0 C-N-CA 121.048 -0.596 . . . . 0.0 112.513 176.323 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.842 HD13 HD13 ' A' ' 52' ' ' ILE . 6.9 mt -66.53 106.76 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 120.864 0.364 . . . . 0.0 110.972 -178.646 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.9 m -91.49 178.68 5.88 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.95 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.494 ' HG3' HG11 ' A' ' 22' ' ' VAL . 33.8 tt0 -46.41 -53.48 10.95 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 123.432 0.458 . . . . 0.0 111.917 -179.018 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.71 -40.73 93.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.116 -177.505 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 1.045 ' HG2' HG21 ' A' ' 48' ' ' THR . 33.8 tt0 -72.14 -32.53 67.0 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.916 0.389 . . . . 0.0 110.491 -176.147 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.663 ' HG ' HG22 ' A' ' 38' ' ' ILE . 34.5 mt -71.34 -24.93 62.2 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.544 174.77 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.1 p -100.39 19.32 16.93 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.739 0.78 . . . . 0.0 110.136 179.311 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.613 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 29.8 t70 -86.31 155.09 20.79 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.898 173.461 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.31 -60.27 2.32 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -176.206 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -78.94 -37.21 40.25 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.427 -173.228 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . 1.045 HG21 ' HG2' ' A' ' 42' ' ' GLN . 35.0 m -55.58 -58.96 5.62 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.715 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 82.1 p -60.82 -42.42 97.65 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.847 0.356 . . . . 0.0 111.589 -174.597 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.12 -37.93 78.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.682 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.83 HD12 HD11 ' B' ' 92' ' ' ILE . 93.8 mt -88.64 -21.57 23.9 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.798 -178.112 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.842 HD13 HD13 ' A' ' 38' ' ' ILE . 60.7 mt -62.87 -47.28 93.58 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.324 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 167.816 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -66.89 -35.98 81.24 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.935 177.128 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.626 ' HB3' ' HA ' ' A' ' 51' ' ' LEU . 30.9 t70 -59.64 -32.97 70.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.488 0.661 . . . . 0.0 109.988 174.499 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.693 ' CZ ' HG12 ' B' ' 79' ' ' VAL . 26.2 t80 -69.48 -44.95 70.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.723 175.548 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.668 HG21 HD23 ' A' ' 62' ' ' LEU . 98.8 mt -63.34 -41.62 93.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.144 178.395 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -63.9 -41.02 97.81 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.889 174.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.494 ' HB3' ' O ' ' A' ' 55' ' ' PHE . 30.1 t70 -51.55 -37.1 47.97 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.852 173.688 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 14.0 mm100 -72.39 -27.67 62.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.305 0.574 . . . . 0.0 110.606 176.698 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.73 -5.25 12.83 Favored Glycine 0 N--CA 1.446 -0.648 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.627 -176.095 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 131.89 -175.71 19.61 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.312 178.464 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.762 HD22 HD11 ' A' ' 29' ' ' LEU . 82.7 mt -60.07 -46.14 90.57 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 122.612 0.365 . . . . 0.0 111.727 -175.139 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.17 -31.98 70.63 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.631 -178.268 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.13 -40.53 78.23 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.932 0.396 . . . . 0.0 110.472 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.641 HG13 HG11 ' B' ' 79' ' ' VAL . 81.4 t -62.71 -37.37 78.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.437 0.637 . . . . 0.0 110.341 177.2 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 43.2 mtt85 -63.37 -28.38 69.95 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.906 177.497 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -80.0 -37.87 33.28 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.53 176.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -55.32 -39.22 69.7 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 120.816 0.341 . . . . 0.0 111.626 175.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 38.7 mtt -52.68 -24.46 8.6 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.338 174.687 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.2 mtp180 . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.634 178.328 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.693 HG12 ' CZ ' ' A' ' 55' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.47 0.537 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -53.76 -51.77 62.32 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -171.31 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 81' ' ' GLN . . . . . 0.405 ' HG3' ' N ' ' B' ' 82' ' ' ARG . 14.6 pt20 -69.85 -27.99 65.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.733 0.778 . . . . 0.0 109.645 -178.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 82' ' ' ARG . . . . . 0.689 ' HG2' ' HE1' ' A' ' 55' ' ' PHE . 66.8 ttt180 -76.75 -17.19 59.21 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 114.672 -1.149 . . . . 0.0 109.744 -176.666 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 0.696 HD13 HD11 ' A' ' 38' ' ' ILE . 0.5 OUTLIER -79.78 -43.46 22.44 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.225 -179.682 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 47.9 mtt -59.55 -42.13 91.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.019 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 85' ' ' GLN . . . . . 0.607 ' O ' ' HG2' ' B' ' 89' ' ' GLU . 15.9 mm100 -62.72 -51.85 65.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.895 177.282 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 86' ' ' HIS . . . . . 0.504 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 58.1 t60 -59.27 -32.42 70.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.29 -175.264 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 87' ' ' LEU . . . . . 0.846 HD22 HG12 ' B' ' 92' ' ' ILE . 88.9 mt -80.5 -47.47 14.22 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.943 0.401 . . . . 0.0 110.756 178.443 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.24 -31.88 65.99 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.121 -179.078 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 89' ' ' GLU . . . . . 0.607 ' HG2' ' O ' ' B' ' 85' ' ' GLN . 19.9 mm-40 -60.3 -26.94 66.91 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 179.012 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 78.6 m80 -102.42 -33.37 9.57 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.764 -0.374 . . . . 0.0 111.558 -176.281 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 117.78 25.52 3.06 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.334 -0.936 . . . . 0.0 112.908 178.416 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 92' ' ' ILE . . . . . 0.846 HG12 HD22 ' B' ' 87' ' ' LEU . 1.6 mp -49.36 141.13 2.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 121.166 0.508 . . . . 0.0 111.666 176.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 . . . . . 0 N--CA 1.445 -0.676 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.944 178.804 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.651 HG11 HD11 ' A' ' 62' ' ' LEU . 20.9 m . . . . . 0 N--CA 1.479 1.007 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 67.6 25.21 73.97 Favored Glycine 0 C--N 1.333 0.401 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.465 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 76.6 t90 -92.42 134.16 35.2 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.241 0.544 . . . . 0.0 111.116 -177.664 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -113.89 135.12 22.02 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 174.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_endo -57.1 -25.0 61.37 Favored 'Trans proline' 0 N--CA 1.474 0.378 0 C-N-CA 123.516 2.81 . . . . 0.0 113.99 -175.539 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -104.46 -49.26 3.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.886 0.374 . . . . 0.0 111.504 -178.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.569 ' O ' ' HA ' ' A' ' 44' ' ' THR . 9.2 m120 -88.77 -5.92 57.75 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -173.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 78.88 -146.01 29.19 Favored Glycine 0 N--CA 1.443 -0.883 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.908 175.453 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.655 ' HB3' HD21 ' A' ' 25' ' ' LEU . 93.1 m-85 -80.86 125.3 29.94 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 -178.793 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -67.44 102.48 1.13 Allowed 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 176.33 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.625 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 16.9 m -63.55 -27.78 43.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -171.324 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -91.31 -5.55 54.47 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.77 -179.317 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -120.41 21.78 11.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.106 174.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.655 HD21 ' HB3' ' A' ' 20' ' ' PHE . 16.0 mt -70.03 138.8 52.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.594 -178.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.436 ' HB3' ' HG ' ' A' ' 29' ' ' LEU . 5.7 t70 -63.82 139.22 97.59 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.668 172.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -42.2 -49.88 5.73 Favored 'Trans proline' 0 C--O 1.237 0.43 0 C-N-CA 123.156 2.571 . . . . 0.0 113.621 -177.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -68.76 -39.63 80.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.701 -0.227 . . . . 0.0 110.562 -178.035 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.441 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 85.8 mt -62.49 -45.22 93.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.894 0.378 . . . . 0.0 110.164 177.179 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.1 tpt180 -57.26 -39.65 76.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.238 178.738 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.9 t -73.51 -48.18 35.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.517 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.533 HD13 HG23 ' B' ' 79' ' ' VAL . 47.0 tp -60.71 -56.98 14.77 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 112.751 0.648 . . . . 0.0 112.751 -173.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.441 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 13.7 m-30 -59.62 -34.47 72.81 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.334 -171.318 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.7 m -64.5 -41.93 96.14 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.92 174.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 33.8 mtp85 -64.8 -39.36 93.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.016 177.103 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.39 -13.81 62.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.854 -176.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.59 -15.07 58.9 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.63 -0.795 . . . . 0.0 111.602 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.568 HD13 ' CD1' ' A' ' 52' ' ' ILE . 12.4 mt -64.63 106.68 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 CA-C-O 120.989 0.423 . . . . 0.0 110.179 177.784 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.1 m -78.03 169.86 17.57 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.321 178.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -64.71 -26.44 68.37 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.849 0.357 . . . . 0.0 111.161 -175.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.62 -44.64 89.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.58 0.705 . . . . 0.0 110.023 172.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.583 ' HB3' HG21 ' A' ' 48' ' ' THR . 53.6 mt-30 -68.73 -27.92 66.36 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.762 178.786 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.439 HD13 HD11 ' A' ' 25' ' ' LEU . 51.5 mt -76.56 -13.98 60.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.918 176.105 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.569 ' HA ' ' O ' ' A' ' 18' ' ' ASN . 7.1 p -108.19 18.55 20.98 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.689 0.757 . . . . 0.0 109.674 173.745 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.577 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 27.0 t70 -90.58 157.09 17.69 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 114.796 -1.093 . . . . 0.0 110.346 175.145 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.28 -68.99 0.53 Allowed 'General case' 0 C--O 1.237 0.436 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 -177.446 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -67.15 -38.9 86.3 Favored 'General case' 0 CA--C 1.519 -0.247 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.395 -175.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.665 ' O ' HG13 ' A' ' 52' ' ' ILE . 25.7 m -56.27 -60.27 3.75 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.178 -0.209 . . . . 0.0 111.325 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.2 m -62.56 -39.57 94.07 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -175.504 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -61.56 -39.57 91.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.088 0.47 . . . . 0.0 110.324 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.611 ' HA ' ' HB3' ' A' ' 54' ' ' ASP . 36.6 mt -83.41 -19.91 35.14 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.844 -177.235 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.665 HG13 ' O ' ' A' ' 48' ' ' THR . 61.4 mt -66.11 -42.5 91.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 166.353 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -65.21 -39.91 93.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.401 0.619 . . . . 0.0 109.525 176.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.611 ' HB3' ' HA ' ' A' ' 51' ' ' LEU . 18.9 t70 -61.85 -35.7 79.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.74 173.672 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.592 ' CZ ' HG12 ' B' ' 79' ' ' VAL . 33.6 t80 -63.94 -46.19 85.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.003 176.526 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.595 HG21 HD13 ' A' ' 62' ' ' LEU . 98.5 mt -61.15 -43.95 97.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.353 179.026 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -60.53 -44.4 96.12 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.758 172.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -54.81 -37.17 65.78 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.605 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 67.0 mm-40 -76.77 -17.72 58.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.624 179.141 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.12 3.62 13.01 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.491 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 122.89 -175.05 16.51 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.3 177.64 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.651 HD11 HG11 ' A' ' 12' ' ' VAL . 4.0 mm? -64.23 -38.58 91.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.962 0.41 . . . . 0.0 111.662 -175.193 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.551 ' O ' ' HG2' ' A' ' 67' ' ' GLN . 28.5 mm-40 -65.7 -35.01 79.55 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.412 -174.283 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.74 -39.31 93.41 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.319 0.581 . . . . 0.0 110.221 178.536 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.633 HG13 HG11 ' B' ' 79' ' ' VAL . 76.2 t -65.35 -44.47 94.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.305 -0.862 . . . . 0.0 110.507 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.437 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 91.0 mtt-85 -61.62 -30.9 71.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.838 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.551 ' HG2' ' O ' ' A' ' 63' ' ' GLU . 79.7 mm-40 -79.29 -43.59 23.34 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.168 -177.213 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.493 ' OE2' HG13 ' B' ' 79' ' ' VAL . 8.7 mt-10 -50.19 -36.41 30.43 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 123.022 0.202 . . . . 0.0 111.344 -179.407 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 32.1 mtt -52.37 -40.65 62.28 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.682 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.258 -176.439 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.633 HG11 HG13 ' A' ' 65' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.467 0.404 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -49.97 -49.95 48.54 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -170.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -72.0 -33.23 67.93 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 121.342 0.592 . . . . 0.0 110.172 -177.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 82' ' ' ARG . . . . . 0.592 ' HG3' ' HE1' ' A' ' 55' ' ' PHE . 8.5 tpt180 -69.47 -21.08 63.73 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.086 -178.109 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 0.518 ' HG ' ' CE2' ' A' ' 55' ' ' PHE . 1.7 mt -74.35 -43.35 56.98 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.171 179.46 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 55.2 mtt -51.43 -45.07 62.51 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.531 -179.453 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 85' ' ' GLN . . . . . 0.407 ' O ' ' HG2' ' B' ' 89' ' ' GLU . 85.3 mm-40 -71.18 -39.54 71.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.31 -178.769 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 86' ' ' HIS . . . . . 0.492 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 39.8 t60 -66.58 -32.34 73.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 -174.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 87' ' ' LEU . . . . . 0.466 HD22 ' O ' ' B' ' 83' ' ' LEU . 0.3 OUTLIER -78.54 -39.29 38.3 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.926 0.394 . . . . 0.0 110.367 174.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.65 -34.26 69.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.632 -178.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 89' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' B' ' 85' ' ' GLN . 31.7 mm-40 -61.2 -23.3 65.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.541 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -117.35 8.25 13.05 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -173.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 70.46 30.79 68.69 Favored Glycine 0 CA--C 1.521 0.446 0 C-N-CA 120.646 -0.788 . . . . 0.0 113.663 175.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 92' ' ' ILE . . . . . 0.539 HD11 HD12 ' A' ' 51' ' ' LEU . 1.5 mp -48.07 149.32 0.54 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 123.404 0.682 . . . . 0.0 112.203 174.565 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.858 178.619 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.719 HG12 HD21 ' A' ' 62' ' ' LEU . 13.9 m . . . . . 0 N--CA 1.479 1.009 0 N-CA-C 114.093 1.146 . . . . 0.0 114.093 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 65.58 23.7 70.62 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.481 -0.866 . . . . 0.0 111.788 -177.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.422 ' CD1' ' HA2' ' A' ' 19' ' ' GLY . 59.4 t90 -79.78 130.8 35.63 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.104 0.478 . . . . 0.0 110.782 -177.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -102.49 133.62 20.41 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.721 174.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -47.15 -32.08 13.13 Favored 'Trans proline' 0 CA--C 1.529 0.257 0 C-N-CA 124.293 3.329 . . . . 0.0 114.277 -177.068 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -105.18 -48.7 3.64 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -176.395 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.565 ' O ' ' HA ' ' A' ' 44' ' ' THR . 86.0 m-20 -96.69 -1.3 46.87 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -173.611 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.422 ' HA2' ' CD1' ' A' ' 14' ' ' TRP . . . 72.52 -133.31 19.39 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.856 -0.687 . . . . 0.0 114.107 172.732 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.52 ' HB2' ' HB3' ' A' ' 43' ' ' LEU . 93.7 m-85 -83.42 144.85 29.33 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.128 0.49 . . . . 0.0 111.559 -172.564 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.46 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 18.2 t70 -81.68 111.64 18.13 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.147 173.293 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.672 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 29.7 m -88.24 -14.48 9.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -169.373 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -87.8 -19.96 26.78 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.433 -0.507 . . . . 0.0 109.914 176.533 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -126.22 52.56 1.7 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.371 0.605 . . . . 0.0 110.233 174.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.672 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 9.8 mt -80.23 135.19 36.2 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.866 178.408 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.56 ' HB3' HD12 ' A' ' 29' ' ' LEU . 1.8 t70 -58.9 132.79 86.86 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.713 177.758 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo -43.21 -52.72 4.68 Favored 'Trans proline' 0 C--O 1.238 0.486 0 C-N-CA 123.25 2.633 . . . . 0.0 113.757 -175.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -69.17 -43.52 74.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.616 -176.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.56 HD12 ' HB3' ' A' ' 26' ' ' ASP . 92.5 mt -61.0 -41.8 97.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.792 0.33 . . . . 0.0 110.574 177.278 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -59.13 -43.97 92.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.43 178.333 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.509 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 5.2 t -62.37 -49.38 75.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.75 177.534 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.588 HD13 HG23 ' B' ' 79' ' ' VAL . 14.3 tp -58.87 -61.07 2.9 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.164 -0.926 . . . . 0.0 112.305 -176.256 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.456 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 11.6 m-30 -60.3 -33.09 71.87 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.846 -171.272 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.9 t -65.63 -42.23 91.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.754 176.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.509 ' HG3' ' O ' ' A' ' 31' ' ' SER . 84.0 mtt180 -64.15 -33.22 75.29 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.424 0.63 . . . . 0.0 110.04 177.56 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.87 -7.87 56.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.007 -0.997 . . . . 0.0 112.263 -173.25 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.18 2.46 83.3 Favored Glycine 0 CA--C 1.511 -0.177 0 C-N-CA 120.422 -0.894 . . . . 0.0 112.158 178.128 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.782 HD11 HD13 ' B' ' 83' ' ' LEU . 19.2 mt -71.17 108.82 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.656 0 CA-C-O 120.893 0.377 . . . . 0.0 110.319 176.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.9 t -62.31 155.35 25.2 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.224 177.079 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -57.24 -32.89 67.01 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 176.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.33 -18.74 64.57 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 121.406 0.622 . . . . 0.0 111.12 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.747 ' HB3' HG21 ' A' ' 48' ' ' THR . 52.3 mt-30 -88.92 -25.72 21.94 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.225 -177.196 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.52 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . 98.2 mt -77.41 -7.01 55.45 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.407 174.243 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.565 ' HA ' ' O ' ' A' ' 18' ' ' ASN . 25.6 p -110.45 1.95 18.61 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.417 173.76 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.576 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 28.7 t70 -77.16 153.27 34.34 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.097 176.474 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.7 -60.72 2.14 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 111.569 0.211 . . . . 0.0 111.569 -177.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -79.78 -39.18 31.45 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.339 -0.544 . . . . 0.0 110.832 -172.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.747 HG21 ' HB3' ' A' ' 42' ' ' GLN . 25.9 m -53.67 -51.55 62.82 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 120.775 0.322 . . . . 0.0 110.921 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.3 m -62.01 -40.24 94.98 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.133 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -65.5 -41.98 92.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.829 -178.479 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.451 HD13 ' HA ' ' A' ' 51' ' ' LEU . 1.2 mm? -69.9 -33.56 72.36 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 121.086 -0.246 . . . . 0.0 111.412 178.608 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.607 ' CD1' HD13 ' A' ' 38' ' ' ILE . 96.4 mt -63.84 -45.71 96.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.795 0.331 . . . . 0.0 110.743 172.558 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -62.43 -45.3 93.72 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 177.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -59.21 -36.85 76.12 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.387 174.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.685 ' HE1' ' HG2' ' B' ' 82' ' ' ARG . 37.6 t80 -58.82 -49.09 79.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.594 174.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 76.7 mt -64.17 -45.9 95.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.181 178.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -57.94 -41.28 82.46 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.331 175.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -59.4 -33.93 71.82 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.06 -178.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.561 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 55.1 mm-40 -76.3 -18.99 58.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.134 -178.111 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.71 -3.74 14.94 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.94 -0.647 . . . . 0.0 111.582 -175.177 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 127.8 -165.76 20.72 Favored Glycine 0 N--CA 1.443 -0.845 0 C-N-CA 121.07 -0.586 . . . . 0.0 112.335 176.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.719 HD21 HG12 ' A' ' 12' ' ' VAL . 8.8 mp -70.83 -41.57 71.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.171 0.51 . . . . 0.0 111.046 -172.809 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.56 ' CD ' ' H ' ' A' ' 63' ' ' GLU . 1.5 mp0 -56.96 -33.66 67.27 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.564 -178.669 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.0 -46.84 64.28 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.555 -176.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.789 ' HB ' HG11 ' B' ' 79' ' ' VAL . 3.8 m -68.15 -28.67 41.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.764 0.316 . . . . 0.0 110.906 -175.692 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.471 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 64.7 mtt-85 -70.68 -21.57 62.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.254 0.55 . . . . 0.0 109.8 178.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.467 ' O ' ' HG2' ' A' ' 70' ' ' ARG . 43.9 mt-30 -86.0 -29.31 23.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.333 178.421 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.434 ' HG3' HG13 ' B' ' 79' ' ' VAL . 3.0 mm-40 -59.61 -32.84 70.78 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.056 0.455 . . . . 0.0 110.51 175.226 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 38.1 mtt -54.46 -23.8 17.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.232 -0.894 . . . . 0.0 111.356 176.146 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.467 ' HG2' ' O ' ' A' ' 67' ' ' GLN . 11.2 ptm180 . . . . . 0 N--CA 1.448 -0.526 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.751 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.789 HG11 ' HB ' ' A' ' 65' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.469 0.482 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -54.53 -45.51 73.4 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 -170.423 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -67.66 -35.55 79.08 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.617 0.722 . . . . 0.0 109.962 179.039 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 82' ' ' ARG . . . . . 0.685 ' HG2' ' HE1' ' A' ' 55' ' ' PHE . 69.4 ttt180 -67.06 -26.01 66.53 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-N 114.805 -1.089 . . . . 0.0 110.174 -179.587 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 0.782 HD13 HD11 ' A' ' 38' ' ' ILE . 3.3 mt -69.53 -47.35 64.02 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.565 176.117 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 61.9 mtt -52.6 -43.45 65.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.513 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 85' ' ' GLN . . . . . 0.538 ' O ' ' HG3' ' B' ' 89' ' ' GLU . 13.4 mm-40 -64.15 -35.94 82.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.967 179.746 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 86' ' ' HIS . . . . . 0.563 ' HA ' ' OE2' ' B' ' 89' ' ' GLU . 36.4 t60 -77.0 -39.51 50.11 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.805 -172.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 87' ' ' LEU . . . . . 0.565 HD22 ' O ' ' B' ' 83' ' ' LEU . 0.6 OUTLIER -68.89 -30.44 68.94 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 120.301 -0.56 . . . . 0.0 109.925 177.456 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.16 -22.94 63.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.213 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 89' ' ' GLU . . . . . 0.563 ' OE2' ' HA ' ' B' ' 86' ' ' HIS . 43.7 mt-10 -70.03 -15.67 63.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.726 -179.574 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -123.49 -41.1 2.3 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -169.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 120.15 31.82 1.24 Allowed Glycine 0 CA--C 1.516 0.152 0 C-N-CA 119.988 -1.101 . . . . 0.0 113.114 178.523 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 92' ' ' ILE . . . . . 0.554 ' HB ' ' HB3' ' B' ' 87' ' ' LEU . 1.7 mp -51.85 143.07 3.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 C-N-CA 123.421 0.688 . . . . 0.0 112.25 178.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 C--O 1.232 0.183 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.74 -179.126 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.854 HG22 HD11 ' A' ' 62' ' ' LEU . 22.0 t . . . . . 0 N--CA 1.474 0.729 0 CA-C-O 121.645 0.736 . . . . 0.0 111.971 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 166.25 35.82 0.02 OUTLIER Glycine 0 N--CA 1.442 -0.906 0 N-CA-C 108.854 -1.698 . . . . 0.0 108.854 -176.593 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.663 ' CZ2' ' HA ' ' A' ' 16' ' ' PRO . 49.2 t90 -112.35 143.37 43.58 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 114.88 -0.66 . . . . 0.0 111.452 -171.552 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -113.48 131.75 22.83 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.57 175.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.663 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 19.8 Cg_endo -60.4 -22.3 70.85 Favored 'Trans proline' 0 N--CA 1.477 0.512 0 C-N-CA 123.563 2.842 . . . . 0.0 114.689 -172.749 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -103.68 -41.97 5.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.972 0.415 . . . . 0.0 111.066 -178.219 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -87.2 -82.58 0.21 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.697 -178.306 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.529 ' HA3' ' HA ' ' A' ' 44' ' ' THR . . . 164.11 -146.71 11.77 Favored Glycine 0 N--CA 1.443 -0.846 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.271 -178.398 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.493 ' HB2' ' HG ' ' A' ' 43' ' ' LEU . 72.2 m-85 -78.95 143.56 35.66 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.016 0.436 . . . . 0.0 111.025 -179.087 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -73.42 91.08 1.73 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.096 175.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.725 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 16.0 m -66.03 -19.15 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.282 -174.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -91.9 6.81 44.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.879 0.371 . . . . 0.0 110.818 178.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -134.75 20.76 3.55 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.798 172.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.725 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 14.4 mt -65.97 139.1 58.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.532 0.682 . . . . 0.0 112.08 -177.042 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -78.15 140.91 61.85 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.288 178.078 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -43.58 -47.07 9.74 Favored 'Trans proline' 0 C--O 1.238 0.517 0 C-N-CA 122.994 2.463 . . . . 0.0 113.355 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -69.84 -47.31 63.19 Favored 'General case' 0 CA--C 1.516 -0.339 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.773 -177.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.8 mp -50.26 -49.71 52.33 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.719 0.295 . . . . 0.0 110.966 172.335 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.459 ' HD3' ' O ' ' A' ' 30' ' ' ARG . 1.7 tmt_? -58.05 -41.42 83.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.327 -179.345 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.8 t -68.74 -49.02 62.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.189 0.518 . . . . 0.0 110.264 179.074 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.932 HD21 HG13 ' B' ' 79' ' ' VAL . 1.9 tm? -59.87 -56.86 16.5 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.531 -174.711 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.53 ' HA ' HD12 ' A' ' 38' ' ' ILE . 17.0 m-85 -60.65 -40.01 90.42 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.627 -177.329 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 36.8 t -63.94 -39.54 94.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.749 177.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -63.46 -39.46 94.53 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-O 121.144 0.497 . . . . 0.0 110.767 176.093 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.77 -18.36 62.12 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.413 -177.165 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 107.39 -4.92 35.27 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.385 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.615 HD13 HD13 ' A' ' 52' ' ' ILE . 7.0 mt -72.18 115.24 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 122.325 0.25 . . . . 0.0 110.61 178.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.4 t -91.32 178.76 5.88 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 176.272 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.422 ' HG3' HG11 ' A' ' 22' ' ' VAL . 36.2 tt0 -57.52 -47.65 81.39 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -172.671 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.66 -42.9 77.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.746 0.308 . . . . 0.0 110.857 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.713 ' HG2' HG21 ' A' ' 48' ' ' THR . 33.9 tt0 -57.2 -40.76 78.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.449 0.642 . . . . 0.0 109.788 175.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.493 ' HG ' ' HB2' ' A' ' 20' ' ' PHE . 34.9 tp -74.51 -2.35 25.33 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.221 -178.659 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.529 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 12.3 p -125.03 23.99 7.64 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.696 0.76 . . . . 0.0 109.949 174.591 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.653 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 27.2 t70 -86.13 142.36 28.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.357 172.707 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.84 -58.44 7.59 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -174.005 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -76.26 -41.0 50.4 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.623 -176.068 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.713 HG21 ' HG2' ' A' ' 42' ' ' GLN . 37.1 m -52.98 -55.8 20.78 Favored 'General case' 0 N--CA 1.457 -0.089 0 CA-C-O 120.54 0.21 . . . . 0.0 111.49 178.233 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.1 m -64.17 -42.39 96.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.798 0.332 . . . . 0.0 111.452 -176.23 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -60.95 -35.7 77.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.377 0.608 . . . . 0.0 110.158 -178.661 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.743 HD12 HD11 ' B' ' 92' ' ' ILE . 84.9 mt -86.24 -29.46 23.11 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.789 -177.534 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.615 HD13 HD13 ' A' ' 38' ' ' ILE . 45.5 mt -62.31 -47.83 91.23 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 C-N-CA 120.534 -0.467 . . . . 0.0 110.453 169.344 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.485 ' HE1' HG23 ' A' ' 12' ' ' VAL . 61.0 t80 -61.05 -43.73 98.44 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 177.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -55.89 -43.59 77.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.139 175.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.685 ' HE1' ' HG3' ' B' ' 82' ' ' ARG . 40.3 t80 -56.72 -55.08 38.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.282 175.602 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 52' ' ' ILE . 62.7 mt -59.18 -44.35 91.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.829 -176.164 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -64.55 -40.16 95.07 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.876 177.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -61.87 -38.68 89.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.15 178.009 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.551 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 34.1 mm-40 -66.8 -16.64 64.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.505 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.39 0.18 16.18 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.679 -0.772 . . . . 0.0 111.685 -177.425 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 123.48 -171.88 16.08 Favored Glycine 0 N--CA 1.441 -0.987 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.657 177.188 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.854 HD11 HG22 ' A' ' 12' ' ' VAL . 8.1 mp -71.16 -46.43 61.47 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.086 0.469 . . . . 0.0 110.271 -174.793 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -58.55 -32.12 68.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.376 -177.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.83 -53.82 44.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.945 -174.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.686 ' O ' ' HG3' ' A' ' 69' ' ' MET . 0.8 OUTLIER -69.33 -32.86 55.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 C-N-CA 120.522 -0.471 . . . . 0.0 109.918 -175.379 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 73.2 mtp180 -62.61 -28.68 70.06 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.38 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -82.22 -32.61 29.71 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.254 178.417 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.404 ' HG3' ' HA ' ' A' ' 65' ' ' VAL . 7.3 mt-10 -66.66 -28.85 68.79 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-O 120.871 0.367 . . . . 0.0 110.189 176.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.686 ' HG3' ' O ' ' A' ' 65' ' ' VAL . 66.9 mtp -61.8 -29.52 70.21 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.704 0.764 . . . . 0.0 109.587 175.637 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.2 mtp85 . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 114.9 -1.045 . . . . 0.0 108.895 -179.615 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.932 HG13 HD21 ' A' ' 32' ' ' LEU . 2.5 p . . . . . 0 CA--C 1.536 0.405 0 CA-C-O 121.499 0.666 . . . . 0.0 110.077 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.485 ' O ' ' HG3' ' B' ' 84' ' ' MET . . . -45.04 -56.37 4.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.944 170.012 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 81' ' ' GLN . . . . . 0.405 ' HA ' ' SD ' ' B' ' 84' ' ' MET . 0.2 OUTLIER -68.72 -28.9 67.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.057 0.456 . . . . 0.0 110.455 -178.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 82' ' ' ARG . . . . . 0.685 ' HG3' ' HE1' ' A' ' 55' ' ' PHE . 7.9 tpt180 -66.71 -33.9 76.66 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.721 178.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 0.614 HD13 ' CD2' ' A' ' 55' ' ' PHE . 22.1 tp -77.87 -38.39 46.08 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.499 177.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 84' ' ' MET . . . . . 0.485 ' HG3' ' O ' ' B' ' 80' ' ' ALA . 65.9 mtt -49.36 -48.76 46.47 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.296 0.57 . . . . 0.0 110.828 178.282 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 85' ' ' GLN . . . . . 0.58 ' O ' ' HG3' ' B' ' 89' ' ' GLU . 43.9 mt-30 -63.74 -39.85 95.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.941 -177.679 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 86' ' ' HIS . . . . . 0.597 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 58.8 t60 -66.09 -29.25 69.54 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.739 -173.5 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 87' ' ' LEU . . . . . 0.443 ' O ' HD13 ' B' ' 92' ' ' ILE . 0.6 OUTLIER -80.15 -35.08 37.09 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.38 174.653 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.67 -22.63 66.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.819 -176.091 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 89' ' ' GLU . . . . . 0.58 ' HG3' ' O ' ' B' ' 85' ' ' GLN . 39.2 mt-10 -63.01 -32.02 73.28 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.604 179.5 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -101.83 -74.17 0.63 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -168.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 164.24 30.27 0.02 OUTLIER Glycine 0 N--CA 1.454 -0.16 0 C-N-CA 120.345 -0.931 . . . . 0.0 112.466 179.43 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 92' ' ' ILE . . . . . 0.743 HD11 HD12 ' A' ' 51' ' ' LEU . 1.7 mp -53.5 143.5 5.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 C-N-CA 123.371 0.668 . . . . 0.0 112.259 -177.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 93' ' ' GLN . . . . . 0.519 ' O ' ' HG3' ' A' ' 42' ' ' GLN . 1.1 mp0 . . . . . 0 C--N 1.331 -0.232 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 176.335 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.616 HG21 HD11 ' A' ' 29' ' ' LEU . 6.6 p . . . . . 0 N--CA 1.477 0.879 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 159.75 38.77 0.02 OUTLIER Glycine 0 N--CA 1.443 -0.864 0 N-CA-C 110.487 -1.045 . . . . 0.0 110.487 -178.332 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.595 ' CZ2' ' HA ' ' A' ' 16' ' ' PRO . 49.2 t90 -121.43 133.31 55.07 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.205 -0.497 . . . . 0.0 110.976 -174.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.512 ' HB3' ' HB2' ' A' ' 18' ' ' ASN . 10.8 t70 -108.85 138.73 20.4 Favored Pre-proline 0 C--N 1.323 -0.57 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 173.408 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.595 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 1.2 Cg_endo -43.25 -51.5 5.71 Favored 'Trans proline' 0 CA--C 1.532 0.419 0 C-N-CA 124.214 3.276 . . . . 0.0 113.742 -173.769 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.546 ' NE2' ' HB2' ' A' ' 16' ' ' PRO . 20.4 mp0 -104.24 -31.09 9.76 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -177.627 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.512 ' HB2' ' HB3' ' A' ' 15' ' ' ASP . 44.2 m-80 -80.64 -16.31 54.37 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.824 0.345 . . . . 0.0 111.305 -175.34 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 83.26 -162.75 40.54 Favored Glycine 0 N--CA 1.442 -0.959 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.545 177.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.434 ' HB3' HD21 ' A' ' 25' ' ' LEU . 63.0 m-85 -74.08 141.06 45.7 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.122 0.487 . . . . 0.0 110.061 178.614 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.04 96.25 4.37 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 174.379 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.633 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 9.6 p -61.71 -17.76 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.261 0.553 . . . . 0.0 110.797 -179.698 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -84.05 -11.95 55.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.984 176.639 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -132.41 27.22 4.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.869 0.366 . . . . 0.0 110.875 -177.532 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.633 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 19.5 mt -71.36 135.98 47.57 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.155 0.502 . . . . 0.0 112.032 -176.249 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.407 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 6.1 t70 -59.42 130.71 87.67 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 114.922 -1.036 . . . . 0.0 109.691 172.78 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 26' ' ' ASP . 68.1 Cg_exo -51.62 -33.49 48.91 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 123.939 3.092 . . . . 0.0 113.817 -176.172 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.417 ' O ' ' HE1' ' A' ' 69' ' ' MET . 15.7 m-20 -79.9 -45.04 19.33 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.616 HD11 HG21 ' A' ' 12' ' ' VAL . 90.4 mt -60.76 -41.07 94.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.751 0.31 . . . . 0.0 110.863 176.491 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -60.6 -32.51 71.63 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.232 0.539 . . . . 0.0 109.957 179.069 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.4 t -74.97 -44.81 46.19 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.834 176.509 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.674 HD21 HG23 ' B' ' 79' ' ' VAL . 1.5 tm? -68.85 -54.98 12.6 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.936 -1.029 . . . . 0.0 112.14 -173.319 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.453 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 22.0 m-30 -53.72 -37.72 63.6 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.942 -178.06 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 46.1 t -61.92 -42.21 98.83 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.533 178.468 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 73.1 mtp85 -63.83 -35.72 81.55 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.178 0.513 . . . . 0.0 110.187 175.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.425 ' O ' ' HG2' ' B' ' 84' ' ' MET . . . -74.54 -5.07 40.7 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.14 -0.936 . . . . 0.0 112.056 -174.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.99 -3.57 82.75 Favored Glycine 0 CA--C 1.509 -0.304 0 C-N-CA 120.702 -0.761 . . . . 0.0 111.535 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.756 HD13 HD13 ' A' ' 52' ' ' ILE . 33.2 mt -72.55 108.3 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.808 0 CA-C-N 115.357 -0.421 . . . . 0.0 110.178 176.271 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.0 t -94.42 -178.71 4.67 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.695 177.13 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -58.17 -39.17 78.19 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.821 0.343 . . . . 0.0 111.577 -175.55 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.3 -43.38 96.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.775 0.322 . . . . 0.0 111.451 177.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.59 ' HB3' HG21 ' A' ' 48' ' ' THR . 68.2 mt-30 -66.66 -34.58 78.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.642 -0.253 . . . . 0.0 111.184 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.632 HD13 HD11 ' A' ' 25' ' ' LEU . 53.0 mt -76.72 -8.0 56.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.81 0.338 . . . . 0.0 111.127 179.496 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.1 p -116.99 15.51 15.12 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.528 0.68 . . . . 0.0 109.679 175.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.599 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 31.5 t70 -90.77 156.92 17.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.395 178.506 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.14 -68.07 0.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.506 0.193 . . . . 0.0 111.504 -178.034 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -75.34 -35.81 61.13 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.973 -172.53 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.599 ' HB ' ' HB3' ' A' ' 45' ' ' ASP . 28.8 m -56.44 -60.04 4.1 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.277 178.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 14.5 m -58.02 -41.29 82.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.779 0.323 . . . . 0.0 111.109 -176.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.471 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 64.0 tttp -60.72 -40.82 93.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.659 -178.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.669 HD12 HD11 ' B' ' 92' ' ' ILE . 62.5 mt -84.39 -20.0 32.64 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.796 -177.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.756 HD13 HD13 ' A' ' 38' ' ' ILE . 59.7 mt -65.58 -47.1 87.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 CA-C-O 121.042 0.449 . . . . 0.0 109.82 167.03 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -63.71 -39.73 95.03 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 176.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.471 ' HB3' ' HA ' ' A' ' 51' ' ' LEU . 23.9 t70 -54.85 -40.79 70.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.161 173.695 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.668 ' CZ ' HG12 ' B' ' 79' ' ' VAL . 41.5 t80 -61.35 -50.53 72.56 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.3 -0.863 . . . . 0.0 111.161 176.28 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 52' ' ' ILE . 51.3 mt -64.66 -41.57 92.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.713 -176.61 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -63.15 -38.72 92.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.794 176.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.429 ' HB3' ' O ' ' A' ' 55' ' ' PHE . 4.3 t70 -58.03 -41.2 82.72 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.417 177.575 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.609 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 64.8 mm-40 -69.5 -15.03 63.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.296 -176.044 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.48 -6.67 12.66 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.899 -0.667 . . . . 0.0 111.935 -177.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 128.74 -161.44 22.37 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.643 177.25 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.457 ' CD2' ' HB ' ' A' ' 12' ' ' VAL . 27.9 mt -74.32 -42.29 59.7 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.925 0.393 . . . . 0.0 110.934 -171.635 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.475 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 45.0 mt-10 -66.27 -25.08 66.7 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.898 -177.638 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.455 ' O ' ' HG2' ' A' ' 68' ' ' GLU . . . -65.63 -44.42 86.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.562 -177.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.505 HG13 HG11 ' B' ' 79' ' ' VAL . 97.3 t -64.9 -35.58 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.105 0.479 . . . . 0.0 110.656 -178.261 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -63.06 -29.79 71.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.754 176.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.475 ' HG3' ' O ' ' A' ' 63' ' ' GLU . 95.9 mt-30 -74.68 -41.51 60.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.477 179.194 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.481 ' HB2' HG22 ' B' ' 79' ' ' VAL . 4.3 mm-40 -59.64 -30.65 68.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.19 -177.407 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.417 ' HE1' ' O ' ' A' ' 28' ' ' ASP . 30.5 mtt -61.21 -27.1 68.18 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.393 178.718 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 . . . . . 0 C--N 1.323 -0.545 0 CA-C-O 121.378 0.609 . . . . 0.0 109.927 176.132 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.674 HG23 HD21 ' A' ' 32' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.304 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.1 -64.96 0.65 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.616 0.722 . . . . 0.0 111.926 -178.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 26.8 mp0 -72.21 -25.31 61.61 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.457 -176.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 82' ' ' ARG . . . . . 0.663 ' HG2' ' HE1' ' A' ' 55' ' ' PHE . 39.7 ttm180 -66.0 -32.74 74.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.411 0.624 . . . . 0.0 109.968 176.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 0.579 HD13 ' CD1' ' A' ' 38' ' ' ILE . 1.3 mt -71.47 -42.01 68.66 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.918 177.443 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 84' ' ' MET . . . . . 0.425 ' HG2' ' O ' ' A' ' 36' ' ' ALA . 58.2 mtt -49.54 -52.74 27.74 Favored 'General case' 0 CA--C 1.519 -0.222 0 O-C-N 123.677 0.61 . . . . 0.0 110.049 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -58.83 -42.23 88.76 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.34 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 86' ' ' HIS . . . . . 0.728 ' HA ' ' OE2' ' B' ' 89' ' ' GLU . 33.2 t60 -70.27 -23.25 62.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.76 -171.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 87' ' ' LEU . . . . . 0.474 ' HB3' ' HB ' ' B' ' 92' ' ' ILE . 0.2 OUTLIER -86.07 -42.65 13.75 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.068 173.719 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.83 -30.66 70.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.815 -177.513 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 89' ' ' GLU . . . . . 0.728 ' OE2' ' HA ' ' B' ' 86' ' ' HIS . 13.6 pt-20 -68.91 -18.1 64.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.64 0.257 . . . . 0.0 111.686 -178.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -103.82 -41.41 5.91 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -177.54 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 127.58 16.84 2.21 Favored Glycine 0 CA--C 1.516 0.156 0 C-N-CA 120.165 -1.017 . . . . 0.0 112.795 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 92' ' ' ILE . . . . . 0.669 HD11 HD12 ' A' ' 51' ' ' LEU . 1.7 mp -46.96 143.82 0.84 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.424 0 C-N-CA 123.585 0.754 . . . . 0.0 112.579 178.208 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.867 177.136 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.533 HG22 HD11 ' A' ' 62' ' ' LEU . 2.5 t . . . . . 0 CA--C 1.536 0.423 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 64.61 22.32 67.83 Favored Glycine 0 CA--C 1.517 0.197 0 C-N-CA 120.9 -0.666 . . . . 0.0 112.23 -176.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.457 ' CH2' ' HA ' ' A' ' 16' ' ' PRO . 88.5 t90 -97.95 134.64 40.79 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.891 0.377 . . . . 0.0 110.754 -177.421 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.407 ' CG ' ' HD2' ' A' ' 16' ' ' PRO . 7.0 t70 -117.33 136.48 23.48 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.595 178.143 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.457 ' HA ' ' CH2' ' A' ' 14' ' ' TRP . 76.5 Cg_exo -29.15 -70.71 0.04 OUTLIER 'Trans proline' 0 CA--C 1.534 0.523 1 C-N-CA 125.59 4.193 . . . . 0.0 115.879 -173.053 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -103.42 -23.96 13.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.868 0.366 . . . . 0.0 111.206 -175.323 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -73.98 -30.77 62.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.788 0.328 . . . . 0.0 110.605 -177.488 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.67 -153.6 19.24 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.918 -0.658 . . . . 0.0 113.412 173.608 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -85.44 143.84 28.34 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.573 -0.313 . . . . 0.0 110.342 -179.023 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -71.71 85.22 0.91 Allowed 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 173.075 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.687 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 12.7 p -62.3 -24.76 35.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.679 -175.599 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -75.2 -36.18 61.45 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.094 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -116.72 42.95 2.35 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.15 0.5 . . . . 0.0 110.389 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.687 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 5.6 mt -66.11 140.69 58.25 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.011 -179.155 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -58.45 131.05 84.94 Favored Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 173.329 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -47.94 -24.8 5.56 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 123.908 3.072 . . . . 0.0 114.504 -173.614 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.431 ' OD2' ' HG3' ' A' ' 69' ' ' MET . 10.9 t70 -84.94 -51.2 6.88 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 179.179 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.513 ' HG ' ' CZ ' ' A' ' 33' ' ' PHE . 9.5 mp -54.16 -44.36 71.39 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.961 0.41 . . . . 0.0 111.167 173.511 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.5 tpt180 -58.33 -24.84 60.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.732 178.252 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.7 t -90.05 -45.18 9.33 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.166 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.534 HD21 HG23 ' B' ' 79' ' ' VAL . 1.7 tm? -69.14 -54.28 15.74 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.416 -172.252 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.513 ' CZ ' ' HG ' ' A' ' 29' ' ' LEU . 21.5 m-30 -55.9 -36.78 68.04 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.639 -174.412 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.6 t -63.72 -32.41 73.89 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.483 177.105 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.464 HH11 ' HD2' ' A' ' 35' ' ' ARG . 23.7 mtp85 -74.81 -27.3 60.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.152 0.501 . . . . 0.0 110.46 177.746 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.447 ' HB1' ' HB3' ' B' ' 83' ' ' LEU . . . -83.61 -14.79 51.2 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.433 -175.677 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 107.73 -9.07 37.41 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.257 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.83 HD13 HD13 ' A' ' 52' ' ' ILE . 7.7 mt -73.31 119.03 19.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.821 0.343 . . . . 0.0 111.552 -177.357 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 39.5 t -95.85 177.18 5.85 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.089 174.456 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.519 ' HG2' HG21 ' A' ' 22' ' ' VAL . 87.3 mt-10 -50.03 -54.22 21.7 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.148 0.499 . . . . 0.0 111.729 -178.148 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.71 -27.46 59.08 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.924 -173.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.615 ' HB3' HG21 ' A' ' 48' ' ' THR . 54.8 mt-30 -83.7 -30.4 26.79 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.263 -175.019 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.551 HD13 HD11 ' A' ' 25' ' ' LEU . 97.2 mt -73.42 -18.77 61.11 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.037 175.441 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 42.3 p -104.19 11.81 34.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.905 176.411 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.651 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 21.4 t70 -91.8 144.26 25.68 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.539 175.583 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.58 -69.41 0.21 Allowed 'General case' 0 C--O 1.239 0.529 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -172.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -71.26 -35.3 71.33 Favored 'General case' 0 CA--C 1.52 -0.179 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.243 -174.251 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.651 ' HB ' ' HB3' ' A' ' 45' ' ' ASP . 56.0 m -60.64 -50.53 73.15 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.919 -179.303 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.7 t -68.03 -44.74 75.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.294 -175.341 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -66.93 -31.75 72.55 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.984 -0.287 . . . . 0.0 111.092 -176.712 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.62 HD12 HD11 ' B' ' 92' ' ' ILE . 67.6 mt -76.14 -28.87 57.57 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.894 -0.322 . . . . 0.0 111.038 177.819 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.83 HD13 HD13 ' A' ' 38' ' ' ILE . 75.1 mt -69.19 -44.6 80.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 121.248 0.547 . . . . 0.0 110.337 170.777 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -61.44 -41.42 97.17 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.122 178.028 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -68.12 -29.24 68.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.923 176.658 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.909 ' HE1' ' HG3' ' B' ' 82' ' ' ARG . 20.1 t80 -63.76 -47.2 81.96 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.741 177.389 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.474 HD11 ' HZ ' ' A' ' 33' ' ' PHE . 58.5 mt -62.62 -35.9 72.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.437 0.637 . . . . 0.0 109.967 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -68.65 -47.35 66.79 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.978 175.032 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -52.4 -36.39 54.06 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.784 176.403 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -75.33 -11.86 60.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.606 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.76 -7.9 11.96 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.657 -0.782 . . . . 0.0 113.23 178.167 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 131.16 -171.08 21.16 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.441 -0.885 . . . . 0.0 112.399 178.627 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.533 HD11 HG22 ' A' ' 12' ' ' VAL . 84.8 mt -64.47 -48.4 75.39 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.633 0.217 . . . . 0.0 111.563 -174.523 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.572 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 26.9 mm-40 -60.37 -32.07 70.94 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.337 -177.768 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.87 -42.37 97.77 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.935 0.397 . . . . 0.0 111.369 -175.158 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.603 HG13 HG11 ' B' ' 79' ' ' VAL . 81.7 t -70.4 -41.21 78.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.379 0.609 . . . . 0.0 109.718 178.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 51.7 mtp180 -68.36 -22.08 64.68 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.516 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.572 ' HG3' ' O ' ' A' ' 63' ' ' GLU . 96.8 mt-30 -73.56 -44.01 58.43 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.323 174.48 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.444 ' HB2' HG22 ' B' ' 79' ' ' VAL . 23.9 mt-10 -63.87 -21.88 66.66 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.729 0.3 . . . . 0.0 111.59 -178.205 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.431 ' HG3' ' OD2' ' A' ' 28' ' ' ASP . 11.6 mmt -57.21 -27.58 62.11 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.824 171.439 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.1 mtp180 . . . . . 0 C--N 1.324 -0.514 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.466 -178.865 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.603 HG11 HG13 ' A' ' 65' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.248 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.64 -62.58 1.54 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -177.553 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -71.85 -25.45 61.97 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.21 0.529 . . . . 0.0 110.709 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 82' ' ' ARG . . . . . 0.909 ' HG3' ' HE1' ' A' ' 55' ' ' PHE . 23.9 tpt180 -67.19 -26.95 66.88 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-O 121.522 0.677 . . . . 0.0 109.886 178.363 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 0.687 HD13 HD11 ' A' ' 38' ' ' ILE . 0.5 OUTLIER -81.46 -40.67 22.95 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.518 179.818 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 63.5 mtt -52.16 -55.49 20.63 Favored 'General case' 0 N--CA 1.465 0.293 0 O-C-N 123.675 0.61 . . . . 0.0 110.688 -179.179 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -62.7 -31.49 72.41 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.273 -178.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 86' ' ' HIS . . . . . 0.473 ' HA ' ' OE1' ' B' ' 89' ' ' GLU . 65.1 t60 -77.05 -17.64 58.64 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 -175.253 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 87' ' ' LEU . . . . . 0.653 HD22 HG12 ' B' ' 92' ' ' ILE . 61.8 mt -94.52 -36.31 11.9 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.301 0.572 . . . . 0.0 110.227 174.821 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.53 -23.37 66.22 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.592 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 89' ' ' GLU . . . . . 0.648 ' HG3' ' CD2' ' B' ' 90' ' ' HIS . 10.1 pt-20 -73.68 -9.12 58.34 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.266 -0.425 . . . . 0.0 112.089 -178.69 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 90' ' ' HIS . . . . . 0.648 ' CD2' ' HG3' ' B' ' 89' ' ' GLU . 97.9 m-70 -118.44 -76.23 0.57 Allowed 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.809 -178.424 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 163.18 36.55 0.02 OUTLIER Glycine 0 C--O 1.231 -0.072 0 C-N-CA 120.507 -0.854 . . . . 0.0 112.341 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 92' ' ' ILE . . . . . 0.653 HG12 HD22 ' B' ' 87' ' ' LEU . 1.7 mp -55.23 140.76 12.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 123.368 0.667 . . . . 0.0 112.434 -178.309 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 . . . . . 0 C--N 1.326 -0.428 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.113 179.131 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.448 HG22 HD11 ' A' ' 29' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.473 0.702 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 128.77 31.81 0.63 Allowed Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.319 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.433 ' HB2' ' CE1' ' A' ' 20' ' ' PHE . 76.4 t90 -116.23 132.45 56.66 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.614 0.245 . . . . 0.0 110.437 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.729 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . 1.1 t70 -114.29 140.17 24.74 Favored Pre-proline 0 C--N 1.322 -0.599 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 176.709 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_exo -33.78 -62.16 0.19 Allowed 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 124.567 3.511 . . . . 0.0 115.028 -174.012 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -104.38 -30.23 10.23 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 -177.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.729 ' HB3' ' HB3' ' A' ' 15' ' ' ASP . 28.6 t-20 -66.25 -34.8 78.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.775 0.321 . . . . 0.0 110.902 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 91.53 -165.23 29.72 Favored Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 115.987 -0.551 . . . . 0.0 112.45 178.199 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.573 ' CD2' HD12 ' A' ' 43' ' ' LEU . 97.9 m-85 -73.21 122.53 22.06 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 174.366 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -74.42 119.49 18.69 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 119.997 -0.681 . . . . 0.0 110.079 -178.419 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.673 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 18.0 m -72.69 -12.67 15.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.951 -172.193 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -78.42 -31.56 48.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.919 0.39 . . . . 0.0 110.145 -178.557 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -120.11 30.13 7.16 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.314 -177.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.673 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 23.2 mt -65.92 117.61 8.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.358 175.689 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -54.59 134.68 63.72 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.862 175.587 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -49.27 -28.39 14.9 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 123.982 3.121 . . . . 0.0 114.24 -177.015 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -76.27 -44.65 36.25 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 177.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.508 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 89.3 mt -62.52 -47.66 82.95 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.113 176.744 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -55.79 -40.63 72.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.106 178.423 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.0 t -63.0 -54.15 42.78 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.34 178.196 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.402 ' CD1' HG13 ' B' ' 79' ' ' VAL . 57.4 tp -62.49 -49.49 75.15 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.415 -173.682 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.508 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 16.8 m-30 -64.79 -47.76 76.95 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.324 -170.367 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.6 m -67.66 -23.88 65.37 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.295 0.569 . . . . 0.0 110.708 177.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.7 ttt85 -80.13 -15.58 56.79 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.932 175.225 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -107.86 18.76 20.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.605 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.3 -17.72 17.31 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 121.091 -0.576 . . . . 0.0 113.328 175.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.584 HD13 ' CD1' ' A' ' 52' ' ' ILE . 40.4 mt -65.09 105.14 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.135 0.493 . . . . 0.0 111.124 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 33.4 t -77.65 169.59 18.04 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.568 174.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -52.87 -44.54 66.92 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 -177.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.19 -24.88 60.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.268 -177.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.622 ' HB3' HG21 ' A' ' 48' ' ' THR . 47.3 mt-30 -82.27 -30.93 30.34 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.095 -176.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.573 HD12 ' CD2' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -66.13 -28.78 69.06 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.426 -0.51 . . . . 0.0 109.741 172.322 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.7 p -97.62 11.74 35.96 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.787 178.394 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.661 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 23.3 t70 -91.85 137.5 32.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.918 176.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.3 -68.66 0.19 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -171.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.0 pm0 -69.34 -39.93 77.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.191 -176.256 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.773 ' HA ' HG13 ' B' ' 92' ' ' ILE . 56.2 m -56.63 -52.51 64.61 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -177.673 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.402 ' HA ' HD12 ' A' ' 52' ' ' ILE . 88.1 p -66.14 -38.32 87.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.838 0.352 . . . . 0.0 111.183 -176.361 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -63.15 -39.28 94.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.44 -176.363 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.726 HD23 HD11 ' B' ' 92' ' ' ILE . 1.0 OUTLIER -74.43 -29.24 61.41 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.365 -0.534 . . . . 0.0 111.604 178.917 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.584 ' CD1' HD13 ' A' ' 38' ' ' ILE . 71.1 mt -63.38 -44.88 99.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.978 0.418 . . . . 0.0 110.172 171.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -61.24 -43.23 99.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.892 178.324 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -62.3 -41.51 98.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.19 -0.913 . . . . 0.0 110.701 175.073 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.558 ' CD2' HD13 ' B' ' 83' ' ' LEU . 59.3 t80 -56.45 -51.52 68.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.563 178.026 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.559 ' CG2' ' HA ' ' A' ' 62' ' ' LEU . 74.5 mt -61.13 -38.89 80.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.611 -177.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -66.44 -43.32 85.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.397 177.248 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -57.6 -31.2 65.98 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.972 -177.03 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.53 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 51.4 mm-40 -83.06 -1.9 53.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.824 0.345 . . . . 0.0 111.183 -176.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.61 -17.59 10.2 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.484 -0.865 . . . . 0.0 112.678 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 145.04 -177.63 23.35 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.243 -0.98 . . . . 0.0 113.317 177.181 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.559 ' HA ' ' CG2' ' A' ' 56' ' ' ILE . 72.8 mt -60.45 -36.59 78.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.389 -0.406 . . . . 0.0 111.489 -175.333 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -77.13 -18.56 57.81 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.105 -176.402 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.442 ' O ' ' HG3' ' A' ' 68' ' ' GLU . . . -64.08 -58.31 7.05 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 -173.618 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.769 ' HB ' HG21 ' B' ' 79' ' ' VAL . 3.0 m -74.8 -22.48 17.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.888 0.851 . . . . 0.0 109.383 -176.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 54.2 ttt180 -67.49 -28.92 68.24 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.154 -1.384 . . . . 0.0 109.701 177.604 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 -87.86 -28.58 21.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.979 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.573 ' HG3' ' HA ' ' A' ' 65' ' ' VAL . 21.3 mt-10 -62.06 -19.55 63.04 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 120.608 0.242 . . . . 0.0 111.521 -176.458 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 49.1 mtt -61.59 -32.26 72.35 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.235 0.54 . . . . 0.0 110.725 175.045 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.446 -0.658 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.655 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.769 HG21 ' HB ' ' A' ' 65' ' ' VAL . 2.4 p . . . . . 0 CA--C 1.542 0.659 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.86 -37.46 43.41 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 113.296 0.85 . . . . 0.0 113.296 -174.452 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 81' ' ' GLN . . . . . 0.515 ' HG3' ' N ' ' B' ' 82' ' ' ARG . 3.3 pt20 -69.86 -35.39 74.66 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.862 -177.125 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 82' ' ' ARG . . . . . 0.515 ' N ' ' HG3' ' B' ' 81' ' ' GLN . 34.8 ttm180 -68.49 -18.42 64.39 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.608 0.718 . . . . 0.0 110.134 -177.241 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 0.558 HD13 ' CD2' ' A' ' 55' ' ' PHE . 32.7 tp -83.35 -44.37 14.93 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.052 -0.977 . . . . 0.0 110.924 -176.201 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 51.9 mtm -60.42 -37.33 80.56 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.909 0.385 . . . . 0.0 110.731 178.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 85' ' ' GLN . . . . . 0.484 ' O ' ' HG2' ' B' ' 89' ' ' GLU . 3.0 tt0 -71.96 -39.13 69.58 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.33 179.038 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 86' ' ' HIS . . . . . 0.552 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 46.8 t60 -63.19 -29.14 70.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.733 179.494 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 87' ' ' LEU . . . . . 0.779 HD22 HG12 ' B' ' 92' ' ' ILE . 64.1 mt -86.32 -47.3 9.5 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.846 179.469 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.02 -38.95 54.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.513 -0.767 . . . . 0.0 112.103 -178.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 89' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' B' ' 85' ' ' GLN . 6.2 mm-40 -60.84 -29.12 69.31 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 72.1 m80 -102.43 2.08 36.09 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.4 0.518 . . . . 0.0 112.4 -172.32 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 83.55 29.58 32.35 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 120.541 -0.838 . . . . 0.0 113.514 175.304 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 92' ' ' ILE . . . . . 0.779 HG12 HD22 ' B' ' 87' ' ' LEU . 1.6 mp -59.51 141.77 15.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.785 0.326 . . . . 0.0 111.499 174.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 . . . . . 0 CA--C 1.532 0.273 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.254 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.784 HG22 HD11 ' A' ' 62' ' ' LEU . 20.7 t . . . . . 0 C--O 1.234 0.259 0 CA-C-O 121.229 0.538 . . . . 0.0 111.768 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 112.24 36.54 1.61 Allowed Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 110.202 -1.159 . . . . 0.0 110.202 -170.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.573 ' CZ2' ' HA ' ' A' ' 16' ' ' PRO . 55.0 t90 -126.7 129.41 48.37 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.462 -0.369 . . . . 0.0 110.536 -176.466 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.621 ' HB2' ' HB3' ' A' ' 18' ' ' ASN . 24.1 m-20 -107.88 129.18 24.5 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.615 174.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.573 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 51.2 Cg_exo -54.37 -24.58 35.64 Favored 'Trans proline' 0 N--CA 1.475 0.438 0 C-N-CA 123.835 3.023 . . . . 0.0 114.149 -174.167 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -104.11 -38.5 6.9 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.989 0.423 . . . . 0.0 111.341 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.621 ' HB3' ' HB2' ' A' ' 15' ' ' ASP . 9.0 t30 -86.65 -35.37 19.39 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.844 -172.192 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.16 -165.94 12.58 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.37 -178.211 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.478 ' HE2' ' HB ' ' A' ' 52' ' ' ILE . 63.3 m-85 -74.82 147.11 41.47 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.79 0.329 . . . . 0.0 110.484 178.562 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -76.53 94.96 3.79 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 174.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.689 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 7.3 p -67.51 -23.96 30.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.165 -0.47 . . . . 0.0 112.093 -170.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -90.34 -5.36 56.32 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.848 0.356 . . . . 0.0 111.056 178.195 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -121.73 25.08 9.44 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.1 0.476 . . . . 0.0 110.267 172.039 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.689 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 11.3 mt -66.12 121.62 15.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.432 -179.459 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -56.38 127.95 72.56 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.58 -0.737 . . . . 0.0 109.675 172.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.432 ' O ' ' HB2' ' A' ' 30' ' ' ARG . 65.8 Cg_exo -51.76 -30.98 39.84 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 124.007 3.138 . . . . 0.0 113.766 -175.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.1 -42.92 65.56 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 178.295 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.551 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 82.5 mt -62.96 -40.56 98.05 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.486 174.728 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.432 ' HB2' ' O ' ' A' ' 27' ' ' PRO . 74.2 mtt180 -51.32 -50.26 59.74 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.21 174.779 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.1 t -58.59 -49.05 78.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.01 -0.996 . . . . 0.0 110.655 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.614 HD13 HG13 ' B' ' 79' ' ' VAL . 49.2 tp -65.95 -52.03 53.28 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.294 -173.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.551 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 19.6 m-30 -63.45 -41.51 98.64 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.243 -171.38 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.1 t -62.36 -36.72 83.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.302 0.573 . . . . 0.0 110.294 177.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.8 mtt180 -69.23 -36.07 76.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.896 175.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.01 0.03 29.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.567 -176.503 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.52 -11.08 71.16 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 121.051 -0.595 . . . . 0.0 111.911 177.411 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.756 HD13 HD13 ' A' ' 52' ' ' ILE . 41.5 mt -65.16 119.73 10.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 C-N-CA 122.953 0.501 . . . . 0.0 110.869 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.0 t -99.38 174.9 6.06 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.122 177.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.506 ' HG3' HG21 ' A' ' 22' ' ' VAL . 47.1 tt0 -49.29 -42.15 40.3 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.126 0.489 . . . . 0.0 110.923 178.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.9 -52.82 63.93 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.172 -179.038 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.668 ' HB3' HG21 ' A' ' 48' ' ' THR . 46.4 mt-30 -59.45 -36.82 76.68 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.887 -178.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.62 HD13 HD11 ' A' ' 25' ' ' LEU . 93.5 mt -68.29 -20.87 64.8 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.794 178.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.8 p -110.66 18.16 19.95 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.471 0.653 . . . . 0.0 110.03 177.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -95.79 138.62 33.18 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.938 175.092 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.26 -65.79 0.59 Allowed 'General case' 0 C--N 1.318 -0.795 0 O-C-N 123.501 0.501 . . . . 0.0 111.609 -174.175 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.434 ' H ' ' CD ' ' A' ' 47' ' ' GLU . 0.8 OUTLIER -65.86 -41.13 92.05 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.902 -175.905 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.668 HG21 ' HB3' ' A' ' 42' ' ' GLN . 17.5 m -59.61 -58.02 10.42 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -178.466 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 92.5 p -62.87 -34.67 77.86 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.792 0.33 . . . . 0.0 110.581 -176.21 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.534 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 88.6 tttt -57.39 -44.42 84.49 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.199 176.828 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.8 HD23 HD11 ' B' ' 92' ' ' ILE . 1.7 mm? -75.54 -35.84 60.61 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 179.476 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.756 HD13 HD13 ' A' ' 38' ' ' ILE . 43.9 mt -59.08 -49.8 82.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.824 177.039 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -66.0 -39.64 90.48 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.546 -0.461 . . . . 0.0 110.132 177.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.405 ' HB3' ' HA ' ' A' ' 51' ' ' LEU . 17.7 t70 -56.41 -38.8 72.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.306 176.141 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.62 ' HB2' ' CD2' ' B' ' 86' ' ' HIS . 48.0 t80 -62.58 -50.93 69.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.869 175.693 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 72.3 mt -62.12 -40.74 88.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.632 -178.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -68.39 -35.02 77.07 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.607 178.012 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -63.3 -32.07 73.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.256 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 49.2 mm-40 -81.31 -6.12 58.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.149 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.76 -28.16 6.84 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.001 -178.437 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 152.37 -172.05 31.58 Favored Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 120.453 -0.88 . . . . 0.0 112.818 177.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.784 HD11 HG22 ' A' ' 12' ' ' VAL . 8.6 mp -56.82 -54.92 40.92 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 122.788 0.435 . . . . 0.0 111.833 -175.787 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.685 ' HA ' ' HD3' ' A' ' 66' ' ' ARG . 32.4 mt-10 -63.4 -24.39 67.82 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.134 -175.198 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.91 -49.32 73.14 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.602 -177.314 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.975 ' HA ' ' HG3' ' A' ' 68' ' ' GLU . 4.1 m -72.48 -21.55 20.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.225 0 CA-C-O 121.269 0.557 . . . . 0.0 110.409 -178.549 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.685 ' HD3' ' HA ' ' A' ' 63' ' ' GLU . 73.8 mtp180 -73.21 -26.0 60.97 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.716 177.346 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.5 ' HG3' ' O ' ' A' ' 63' ' ' GLU . 77.3 mt-30 -81.34 -27.31 35.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.71 176.812 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.975 ' HG3' ' HA ' ' A' ' 65' ' ' VAL . 6.2 mt-10 -64.4 -24.19 67.55 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 175.236 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.431 ' HB2' ' O ' ' A' ' 66' ' ' ARG . 38.1 mtt -61.19 -33.4 73.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.843 174.329 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 . . . . . 0 C--N 1.324 -0.527 0 CA-C-O 121.301 0.572 . . . . 0.0 109.805 178.587 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.614 HG13 HD13 ' A' ' 32' ' ' LEU . 2.6 p . . . . . 0 CA--C 1.543 0.691 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.84 -38.69 89.15 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -177.101 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -71.56 -23.88 61.83 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-O 121.707 0.765 . . . . 0.0 109.484 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 82' ' ' ARG . . . . . 0.42 ' HG2' ' HE1' ' A' ' 55' ' ' PHE . 64.7 ttt180 -78.21 -15.79 58.47 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.504 -1.226 . . . . 0.0 110.112 -177.73 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 0.559 HD13 ' CD1' ' A' ' 38' ' ' ILE . 0.5 OUTLIER -82.43 -40.99 20.44 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.434 -179.813 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 59.6 mtt -57.94 -41.19 82.29 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.003 177.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 89.3 mm-40 -60.74 -33.33 72.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.038 178.51 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 86' ' ' HIS . . . . . 0.62 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 46.8 t60 -84.02 -18.26 37.7 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.885 -172.102 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 87' ' ' LEU . . . . . 0.604 HD12 HG13 ' B' ' 92' ' ' ILE . 0.3 OUTLIER -89.56 -37.8 14.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.136 0.493 . . . . 0.0 109.868 173.238 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.65 -14.75 61.85 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.007 -178.086 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 89' ' ' GLU . . . . . 0.8 ' HG3' ' CD2' ' B' ' 90' ' ' HIS . 9.5 pt-20 -93.38 -2.64 54.51 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -177.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 90' ' ' HIS . . . . . 0.8 ' CD2' ' HG3' ' B' ' 89' ' ' GLU . 94.0 m-70 -131.33 23.92 4.82 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -178.641 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.8 39.42 87.43 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.92 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 92' ' ' ILE . . . . . 0.8 HD11 HD23 ' A' ' 51' ' ' LEU . 29.2 mm -79.88 148.67 5.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 120.745 0.307 . . . . 0.0 110.983 -176.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.695 -178.068 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.746 HG13 HD21 ' A' ' 62' ' ' LEU . 47.1 t . . . . . 0 CA--C 1.541 0.615 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 99.72 19.44 20.02 Favored Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 -171.485 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.431 ' CZ2' ' HA ' ' A' ' 16' ' ' PRO . 38.3 t90 -108.5 139.35 43.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.619 -0.79 . . . . 0.0 110.462 -177.544 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.638 ' HB3' ' HB2' ' A' ' 18' ' ' ASN . 15.2 t70 -110.84 137.95 20.97 Favored Pre-proline 0 C--N 1.323 -0.587 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 174.648 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.448 ' HD2' ' CG ' ' A' ' 15' ' ' ASP . 80.4 Cg_exo -28.57 -75.0 0.03 OUTLIER 'Trans proline' 0 CA--C 1.533 0.456 0 C-N-CA 125.228 3.952 . . . . 0.0 115.101 -174.44 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -105.94 -0.82 24.72 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 -179.237 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.638 ' HB2' ' HB3' ' A' ' 15' ' ' ASP . 47.8 m-80 -90.44 -19.98 23.29 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.764 0.316 . . . . 0.0 111.253 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.808 ' HA3' ' HA ' ' A' ' 44' ' ' THR . . . 91.56 -163.74 28.78 Favored Glycine 0 N--CA 1.442 -0.945 0 C-N-CA 120.61 -0.805 . . . . 0.0 113.434 174.752 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.493 ' HB2' ' HG ' ' A' ' 43' ' ' LEU . 56.9 m-85 -84.74 145.61 27.83 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 179.668 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -74.53 103.38 4.84 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 177.004 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.652 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 17.5 m -72.03 -4.69 5.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.419 -175.328 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -85.64 -41.11 15.49 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.694 -0.23 . . . . 0.0 110.616 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -110.72 35.63 3.42 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.205 0.526 . . . . 0.0 111.243 177.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.652 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 13.8 mt -65.1 133.75 52.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.835 176.782 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.421 ' HB3' HD12 ' A' ' 29' ' ' LEU . 12.7 t70 -65.3 133.78 95.58 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.682 173.498 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 26' ' ' ASP . 85.7 Cg_exo -49.15 -34.72 31.41 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 124.29 3.327 . . . . 0.0 114.323 -177.247 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -79.82 -41.01 27.26 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.404 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.454 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 96.1 mt -59.4 -48.24 82.4 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 109.595 -0.521 . . . . 0.0 109.595 172.209 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -53.12 -49.1 67.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.862 178.407 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.3 t -61.34 -48.21 82.34 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.146 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.582 HD21 ' HB ' ' B' ' 79' ' ' VAL . 61.9 tp -63.2 -55.35 25.8 Favored 'General case' 0 CA--C 1.51 -0.596 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -174.833 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.499 ' HZ ' HD11 ' A' ' 56' ' ' ILE . 20.1 m-30 -57.46 -46.25 83.87 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.105 -173.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.1 t -62.37 -34.06 75.96 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.733 177.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 35.3 ttt180 -76.67 -28.62 56.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.227 0.537 . . . . 0.0 110.634 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.4 ' O ' ' HG2' ' B' ' 84' ' ' MET . . . -83.84 -10.1 58.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.192 -177.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 113.09 -18.36 21.46 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.232 178.122 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.914 HG12 HD11 ' A' ' 52' ' ' ILE . 4.2 mp -72.25 121.12 21.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 78.8 p -92.58 178.16 5.89 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 176.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -60.53 -37.72 82.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.327 0.584 . . . . 0.0 109.864 177.508 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.32 -55.49 17.96 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.606 177.321 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.843 ' HG2' HG21 ' A' ' 48' ' ' THR . 13.2 tt0 -59.99 -33.92 72.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.151 0.5 . . . . 0.0 110.577 -177.681 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.493 ' HG ' ' HB2' ' A' ' 20' ' ' PHE . 23.3 tp -67.26 -17.74 64.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.277 -178.781 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.808 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 18.9 p -111.82 13.01 20.98 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.99 0.424 . . . . 0.0 110.915 179.25 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.56 151.18 26.52 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.979 174.351 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.33 -65.57 0.58 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -172.469 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.597 ' H ' ' CD ' ' A' ' 47' ' ' GLU . 1.0 OUTLIER -74.91 -33.4 62.0 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.337 -173.392 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.843 HG21 ' HG2' ' A' ' 42' ' ' GLN . 7.8 m -60.64 -58.89 6.54 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.505 ' CB ' ' HA2' ' A' ' 19' ' ' GLY . 80.9 p -64.04 -39.73 94.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.258 -173.539 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -57.07 -39.19 74.48 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.692 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.437 HD12 HD11 ' B' ' 92' ' ' ILE . 29.6 mt -74.71 -39.05 62.16 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.066 178.298 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.914 HD11 HG12 ' A' ' 38' ' ' ILE . 69.5 mt -58.16 -44.63 88.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.794 0.33 . . . . 0.0 111.524 175.159 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -60.57 -48.11 83.2 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.841 0.353 . . . . 0.0 110.724 178.681 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -59.5 -39.7 84.66 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.357 0.599 . . . . 0.0 110.536 174.441 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.93 ' HE1' ' HG3' ' B' ' 82' ' ' ARG . 51.9 t80 -55.3 -56.85 15.28 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.902 176.472 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.627 HG23 HG21 ' A' ' 65' ' ' VAL . 80.2 mt -57.55 -35.56 50.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.358 -177.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -73.18 -21.01 60.76 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.351 -178.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.402 ' HB3' ' O ' ' A' ' 55' ' ' PHE . 29.6 t70 -69.66 -36.72 76.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.021 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -80.58 -5.89 57.47 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.856 -0.338 . . . . 0.0 111.246 178.513 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.92 -24.83 8.18 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.51 -0.852 . . . . 0.0 112.305 178.488 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 145.05 -173.8 25.36 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.089 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.746 HD21 HG13 ' A' ' 12' ' ' VAL . 10.5 mp -64.01 -42.71 97.05 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -174.517 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.8 mp0 -54.36 -44.8 72.49 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.753 0.311 . . . . 0.0 111.2 178.604 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.44 -42.7 78.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -177.092 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.627 HG21 HG23 ' A' ' 56' ' ' ILE . 46.3 t -63.04 -38.0 80.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.465 -177.049 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.511 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 50.4 mtp180 -64.5 -28.4 69.63 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.855 179.51 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -86.23 -32.58 21.09 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.594 -175.36 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.584 ' HB2' HG22 ' B' ' 79' ' ' VAL . 6.6 mm-40 -47.87 -32.89 6.74 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 123.83 0.706 . . . . 0.0 111.576 -178.498 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.4 ' HE2' ' HB2' ' A' ' 32' ' ' LEU . 47.8 mtt -49.89 -38.48 35.94 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.36 -178.587 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.445 -0.699 0 CA-C-N 115.043 -0.981 . . . . 0.0 109.977 -178.348 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.679 HG12 ' CZ ' ' A' ' 55' ' ' PHE . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.163 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.436 ' O ' ' HG3' ' B' ' 84' ' ' MET . . . -53.2 -58.72 6.07 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -175.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -73.6 -26.6 60.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.339 0.59 . . . . 0.0 109.993 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 82' ' ' ARG . . . . . 0.93 ' HG3' ' HE1' ' A' ' 55' ' ' PHE . 11.1 tpt180 -64.07 -29.95 71.05 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.188 -0.914 . . . . 0.0 109.541 177.425 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 0.692 ' HG ' ' CE2' ' A' ' 55' ' ' PHE . 1.8 mt -76.13 -45.16 35.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.347 175.43 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 84' ' ' MET . . . . . 0.436 ' HG3' ' O ' ' B' ' 80' ' ' ALA . 63.3 mtt -51.95 -48.68 64.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.913 -178.212 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -67.48 -28.07 67.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.952 179.511 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 24.6 t-80 -73.59 -28.57 61.9 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.197 -175.603 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 87' ' ' LEU . . . . . 0.653 HD12 HG13 ' B' ' 92' ' ' ILE . 2.3 mm? -92.11 -46.09 7.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.912 0.387 . . . . 0.0 111.141 177.354 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.24 -31.22 71.02 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -172.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -82.57 2.13 34.68 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -176.671 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 51.8 m80 -125.56 15.68 8.19 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.404 -0.519 . . . . 0.0 111.716 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 59.92 38.27 93.87 Favored Glycine 0 C--N 1.329 0.188 0 C-N-CA 120.955 -0.64 . . . . 0.0 112.565 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 92' ' ' ILE . . . . . 0.653 HG13 HD12 ' B' ' 87' ' ' LEU . 22.5 mm -69.33 146.56 12.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 120.829 0.347 . . . . 0.0 111.351 -177.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 . . . . . 0 C--N 1.333 -0.151 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.391 178.203 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.541 0.615 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.72 18.51 58.2 Favored Glycine 0 N--CA 1.453 -0.191 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.716 -178.408 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.556 ' CZ2' ' HA ' ' A' ' 16' ' ' PRO . 64.4 t90 -105.89 135.54 47.14 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.04 0.448 . . . . 0.0 111.34 -178.54 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.688 ' HB3' ' HB2' ' A' ' 18' ' ' ASN . 9.8 t70 -117.42 135.63 23.26 Favored Pre-proline 0 C--N 1.322 -0.592 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 173.279 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.556 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 10.9 Cg_endo -53.63 -29.98 53.35 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 123.602 2.868 . . . . 0.0 113.923 -175.486 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -106.28 -42.3 5.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.661 0.267 . . . . 0.0 111.672 179.118 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.688 ' HB2' ' HB3' ' A' ' 15' ' ' ASP . 2.7 m-20 -76.82 -26.49 54.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.684 -174.436 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 91.59 -157.56 24.69 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.899 -0.667 . . . . 0.0 111.782 -177.697 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.641 ' HB2' ' HB3' ' A' ' 43' ' ' LEU . 60.6 m-85 -77.51 122.16 24.86 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 175.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -68.33 105.79 2.27 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 178.348 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.652 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 17.5 m -69.24 -11.59 15.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.472 -172.65 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -82.74 -39.92 21.23 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.343 0.592 . . . . 0.0 110.21 176.193 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -96.58 16.21 19.45 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.633 -177.661 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.652 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 26.0 mt -66.18 124.35 22.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.006 0.431 . . . . 0.0 111.443 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.424 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 8.1 t70 -64.84 130.23 94.73 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 115.422 -0.808 . . . . 0.0 108.975 172.257 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 26' ' ' ASP . 77.6 Cg_exo -51.78 -29.93 35.95 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 123.774 2.982 . . . . 0.0 113.735 -178.001 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.681 ' HB3' HH21 ' A' ' 66' ' ' ARG . 32.0 t70 -77.07 -41.51 42.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.891 0.377 . . . . 0.0 110.116 -179.378 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.418 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 96.0 mt -63.4 -47.51 81.7 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 121.172 0.51 . . . . 0.0 109.777 172.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -56.73 -38.92 73.04 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.964 179.009 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.2 t -56.15 -48.02 77.09 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.091 177.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.493 ' CD1' HG13 ' B' ' 79' ' ' VAL . 61.6 tp -67.05 -51.97 48.02 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.249 -177.818 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.437 ' HB3' HD21 ' A' ' 43' ' ' LEU . 14.9 m-30 -60.8 -42.59 97.93 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.653 -174.348 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.5 t -65.96 -32.39 73.85 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.461 177.503 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -76.57 -26.45 55.1 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.437 0.637 . . . . 0.0 110.043 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.17 -3.99 56.08 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.882 179.375 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.25 -7.54 80.44 Favored Glycine 0 N--CA 1.453 -0.201 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.299 179.277 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.727 HD13 HD11 ' A' ' 52' ' ' ILE . 20.3 mt -76.06 111.33 12.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 120.955 0.407 . . . . 0.0 110.683 -179.084 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 67.9 p -75.97 167.06 22.57 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.852 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.47 ' HB3' HG11 ' A' ' 22' ' ' VAL . 1.9 mp0 -53.27 -45.69 68.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.074 0.464 . . . . 0.0 110.485 177.81 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.39 -42.98 99.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.75 179.332 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.897 ' HG2' HG21 ' A' ' 48' ' ' THR . 41.5 tt0 -62.05 -32.75 73.3 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.339 -178.45 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.653 ' O ' ' HB3' ' A' ' 49' ' ' SER . 68.8 mt -70.17 -17.46 63.17 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.452 178.729 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.1 p -98.78 5.41 47.53 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.107 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -76.06 132.37 40.06 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 170.021 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -50.75 -57.28 8.74 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.249 0.462 . . . . 0.0 112.249 -172.73 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.436 ' H ' ' CD ' ' A' ' 47' ' ' GLU . 1.5 pm0 -69.75 -44.85 69.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.369 -177.232 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.897 HG21 ' HG2' ' A' ' 42' ' ' GLN . 9.0 m -53.74 -51.97 61.64 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.786 0.327 . . . . 0.0 111.299 179.261 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.653 ' HB3' ' O ' ' A' ' 43' ' ' LEU . 60.2 p -65.22 -48.7 72.4 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.12 -178.241 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -57.47 -37.67 73.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.682 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.773 ' HA ' ' HB3' ' A' ' 54' ' ' ASP . 35.7 mt -85.39 -15.21 43.85 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -177.423 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.727 HD11 HD13 ' A' ' 38' ' ' ILE . 96.8 mt -78.23 -37.06 21.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 C-N-CA 120.13 -0.628 . . . . 0.0 109.934 167.122 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -65.21 -47.63 76.19 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 173.391 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.773 ' HB3' ' HA ' ' A' ' 51' ' ' LEU . 1.5 t70 -52.38 -36.95 55.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.482 171.338 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.807 ' HE1' ' HG3' ' B' ' 82' ' ' ARG . 60.3 t80 -66.58 -57.43 7.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.129 -179.578 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.407 ' CG2' ' HA ' ' A' ' 62' ' ' LEU . 84.6 mt -56.2 -41.31 69.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.423 -179.325 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -63.56 -50.19 70.46 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.393 -0.822 . . . . 0.0 111.079 175.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -54.21 -34.7 61.22 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.685 177.575 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.524 ' HG3' HG12 ' A' ' 65' ' ' VAL . 32.0 mm-40 -70.86 -11.71 61.12 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.929 0.395 . . . . 0.0 110.889 179.678 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 120.17 -0.92 13.07 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.748 -0.739 . . . . 0.0 113.141 178.386 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 133.79 -179.41 17.49 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.133 -1.032 . . . . 0.0 112.861 176.53 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.407 ' HA ' ' CG2' ' A' ' 56' ' ' ILE . 87.7 mt -58.68 -45.56 89.18 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -172.859 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -67.24 -25.13 65.94 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.327 0.492 . . . . 0.0 112.327 -176.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.423 ' O ' ' HG3' ' A' ' 68' ' ' GLU . . . -56.52 -61.08 2.66 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -170.001 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.606 ' HB ' HG21 ' B' ' 79' ' ' VAL . 1.4 m -65.02 -26.08 39.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.494 0.664 . . . . 0.0 110.689 -173.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.681 HH21 ' HB3' ' A' ' 28' ' ' ASP . 41.4 mtp180 -73.4 -26.09 60.83 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.03 -177.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -91.84 -22.28 20.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.317 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.594 ' HB2' ' HB ' ' B' ' 79' ' ' VAL . 13.6 mt-10 -68.5 -15.59 63.6 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 120.777 0.322 . . . . 0.0 111.122 -179.446 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 47.6 mtt -61.54 -24.79 66.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.323 0.582 . . . . 0.0 110.026 171.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 64.2 mtp180 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 115.243 -0.889 . . . . 0.0 109.694 -177.094 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.606 HG21 ' HB ' ' A' ' 65' ' ' VAL . 2.5 p . . . . . 0 CA--C 1.541 0.622 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.646 ' O ' ' HG3' ' B' ' 84' ' ' MET . . . -48.3 -45.97 35.59 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -179.055 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -64.39 -37.03 86.08 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.904 0.383 . . . . 0.0 111.223 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 82' ' ' ARG . . . . . 0.807 ' HG3' ' HE1' ' A' ' 55' ' ' PHE . 0.8 OUTLIER -65.7 -30.47 71.15 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-O 121.562 0.696 . . . . 0.0 109.642 178.529 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 0.607 HD13 ' CD2' ' A' ' 55' ' ' PHE . 49.8 tp -81.03 -44.74 17.61 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.013 -0.994 . . . . 0.0 111.649 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 84' ' ' MET . . . . . 0.646 ' HG3' ' O ' ' B' ' 80' ' ' ALA . 54.8 mtt -48.36 -55.17 11.43 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 121.314 0.578 . . . . 0.0 110.922 -177.663 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 85' ' ' GLN . . . . . 0.596 ' O ' ' HG3' ' B' ' 89' ' ' GLU . 42.3 mt-30 -69.12 -28.97 66.95 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.479 -178.15 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 44.0 t60 -59.02 -31.97 69.31 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.254 -177.26 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 87' ' ' LEU . . . . . 0.574 HD12 HG12 ' B' ' 92' ' ' ILE . 1.5 mm? -83.49 -35.71 24.67 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.581 -0.448 . . . . 0.0 110.692 176.76 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.01 -32.15 73.59 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.185 -178.284 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 89' ' ' GLU . . . . . 0.596 ' HG3' ' O ' ' B' ' 85' ' ' GLN . 49.4 mt-10 -65.72 -17.66 64.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.784 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 68.9 m80 -120.53 4.12 10.68 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -172.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 79.24 32.57 38.52 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 120.701 -0.761 . . . . 0.0 113.624 175.209 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 92' ' ' ILE . . . . . 0.595 HD11 HD12 ' A' ' 51' ' ' LEU . 1.4 mp -60.81 145.83 12.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 C-N-CA 122.933 0.493 . . . . 0.0 111.805 175.336 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 93' ' ' GLN . . . . . 0.417 HE22 ' CD ' ' A' ' 47' ' ' GLU . 1.4 mp0 . . . . . 0 C--N 1.333 -0.121 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.97 176.196 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.611 HG21 ' HE1' ' A' ' 53' ' ' TYR . 15.8 t . . . . . 0 CA--C 1.54 0.578 0 CA-C-O 121.437 0.637 . . . . 0.0 111.807 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 64.77 32.06 82.97 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.727 -0.749 . . . . 0.0 111.369 -174.624 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.501 ' CZ2' ' HA ' ' A' ' 16' ' ' PRO . 56.4 t90 -111.71 138.29 48.47 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.218 0.532 . . . . 0.0 111.477 -176.729 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.417 ' HB3' ' HB2' ' A' ' 18' ' ' ASN . 12.2 t70 -120.76 132.18 24.25 Favored Pre-proline 0 C--N 1.323 -0.545 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 172.699 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.501 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 9.3 Cg_endo -52.08 -29.77 37.98 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 123.918 3.079 . . . . 0.0 114.137 -175.029 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -105.38 -42.5 5.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.796 0.331 . . . . 0.0 111.539 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.417 ' HB2' ' HB3' ' A' ' 15' ' ' ASP . 36.2 m-80 -84.06 -12.72 54.68 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -173.426 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.81 ' HA3' ' HA ' ' A' ' 44' ' ' THR . . . 86.42 -161.85 34.32 Favored Glycine 0 N--CA 1.442 -0.93 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.792 177.427 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.502 ' HB2' ' HG ' ' A' ' 43' ' ' LEU . 55.5 m-85 -81.44 143.96 31.74 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 178.195 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -70.26 101.83 1.98 Allowed 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 176.097 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.673 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 16.4 m -68.24 -14.02 17.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -174.334 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -88.6 -39.61 13.97 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.271 0.558 . . . . 0.0 109.878 176.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -97.73 29.91 3.18 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.337 179.444 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.673 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 7.1 mt -66.86 133.43 50.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.604 -178.77 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.522 ' HB3' ' HB2' ' A' ' 29' ' ' LEU . 11.2 t70 -59.9 132.47 89.43 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.21 -0.904 . . . . 0.0 109.639 173.414 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 26' ' ' ASP . 63.6 Cg_exo -51.54 -31.71 40.75 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 123.9 3.067 . . . . 0.0 113.755 -176.519 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -84.6 -45.15 12.82 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.522 ' HB2' ' HB3' ' A' ' 26' ' ' ASP . 6.9 mp -49.76 -52.78 29.24 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 120.736 0.303 . . . . 0.0 111.25 171.053 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -56.11 -43.07 77.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.224 -178.337 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.5 t -67.29 -46.6 73.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.347 0.594 . . . . 0.0 110.388 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.823 HD21 HG13 ' B' ' 79' ' ' VAL . 2.5 tm? -62.64 -55.2 29.2 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.388 -175.807 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.629 ' HB3' ' HB ' ' A' ' 38' ' ' ILE . 18.2 m-85 -59.71 -33.37 71.51 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.534 -178.357 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.4 t -66.29 -31.16 71.8 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.187 178.086 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -79.53 -40.96 28.35 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.413 0.625 . . . . 0.0 110.13 175.264 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.487 ' HB1' ' HB3' ' B' ' 83' ' ' LEU . . . -70.32 -16.7 63.03 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.889 -1.051 . . . . 0.0 111.606 -175.015 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 106.66 -3.15 36.44 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.849 174.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.629 ' HB ' ' HB3' ' A' ' 33' ' ' PHE . 5.0 mp -75.78 115.85 17.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.878 0.371 . . . . 0.0 110.416 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.8 t -91.87 164.96 13.48 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 174.078 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -48.23 -47.23 35.95 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 122.738 0.415 . . . . 0.0 111.84 -175.499 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.61 -53.05 62.53 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-O 120.873 0.368 . . . . 0.0 110.78 178.228 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 1.001 ' HG2' HG21 ' A' ' 48' ' ' THR . 21.8 tt0 -55.35 -38.8 69.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.585 0.707 . . . . 0.0 110.182 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.599 HD21 HD21 ' A' ' 25' ' ' LEU . 30.8 tp -71.37 -13.04 61.73 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.169 -177.768 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.81 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 22.9 p -118.16 20.01 13.34 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.91 -179.486 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -90.67 150.15 21.78 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.23 173.184 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.85 -63.41 1.16 Allowed 'General case' 0 C--O 1.237 0.429 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -171.303 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.405 ' H ' ' CD ' ' A' ' 47' ' ' GLU . 1.2 pm0 -75.05 -36.95 61.8 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.674 -174.709 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' THR . . . . . 1.001 HG21 ' HG2' ' A' ' 42' ' ' GLN . 17.8 m -61.39 -56.57 18.85 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.832 -176.052 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.581 ' CB ' ' HA2' ' A' ' 19' ' ' GLY . 77.9 p -60.69 -40.54 92.56 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.068 0.461 . . . . 0.0 110.969 -176.548 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.425 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 4.4 ttmp? -62.65 -42.53 99.66 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.494 -179.576 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 1.029 HD12 HD11 ' B' ' 92' ' ' ILE . 45.5 mt -74.74 -31.01 61.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.343 179.176 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.645 ' O ' ' HB3' ' A' ' 55' ' ' PHE . 57.4 mt -62.6 -45.47 98.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.757 172.722 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.611 ' HE1' HG21 ' A' ' 12' ' ' VAL . 87.8 t80 -67.34 -39.56 85.79 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.237 -0.585 . . . . 0.0 110.037 177.297 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.409 ' HB3' ' HA ' ' A' ' 51' ' ' LEU . 20.1 t70 -57.67 -37.0 72.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.39 0.614 . . . . 0.0 109.953 174.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.645 ' HB3' ' O ' ' A' ' 52' ' ' ILE . 50.1 t80 -59.46 -54.28 48.49 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.437 174.176 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.499 HG12 HG21 ' A' ' 65' ' ' VAL . 69.9 mt -56.68 -42.37 76.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.294 -0.867 . . . . 0.0 110.742 -179.432 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -57.11 -51.51 69.02 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.872 173.525 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -59.32 -31.1 68.86 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.183 -177.595 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.584 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 11.5 mm100 -71.97 -14.99 62.06 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.154 0.502 . . . . 0.0 110.854 -178.736 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.18 9.4 8.77 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.241 -177.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 114.11 -178.11 18.08 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.708 176.283 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 29.0 tp -60.55 -38.46 84.55 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.984 0.365 . . . . 0.0 111.984 -174.282 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -66.06 -32.22 73.57 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.745 0.276 . . . . 0.0 111.745 -177.729 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.548 ' O ' ' HG3' ' A' ' 68' ' ' GLU . . . -60.94 -55.83 28.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.507 -174.454 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.499 HG21 HG12 ' A' ' 56' ' ' ILE . 43.4 t -60.71 -34.54 59.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.38 0.61 . . . . 0.0 110.898 -173.124 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 67.8 mtp180 -66.42 -32.46 73.86 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.027 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -94.18 -28.05 15.86 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.079 -0.51 . . . . 0.0 112.292 -174.204 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.548 ' HG3' ' O ' ' A' ' 64' ' ' ALA . 26.3 mt-10 -62.85 -17.03 60.86 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 121.187 -0.205 . . . . 0.0 111.475 -176.54 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.431 ' HE2' HD23 ' A' ' 32' ' ' LEU . 43.4 mtt -52.22 -37.4 54.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.374 0.607 . . . . 0.0 110.873 172.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 . . . . . 0 C--N 1.325 -0.481 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.401 -179.3 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.823 HG13 HD21 ' A' ' 32' ' ' LEU . 3.0 p . . . . . 0 CA--C 1.542 0.644 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.85 -45.03 63.86 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -62.05 -31.08 71.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.42 0.628 . . . . 0.0 110.484 -178.741 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.96 -19.02 62.6 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 114.817 -1.083 . . . . 0.0 110.748 -174.285 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 0.586 HD13 ' CD1' ' A' ' 38' ' ' ILE . 0.5 OUTLIER -85.58 -36.72 20.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.684 -176.924 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 62.9 mtt -56.25 -42.07 76.79 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.814 178.473 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -62.69 -50.99 68.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.07 178.079 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 86' ' ' HIS . . . . . 0.4 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 41.4 t60 -62.54 -26.24 68.46 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.708 -171.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 87' ' ' LEU . . . . . 0.511 HD22 HG13 ' B' ' 92' ' ' ILE . 84.1 mt -87.33 -49.95 6.9 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.933 0.397 . . . . 0.0 110.627 177.278 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.2 -31.95 70.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.389 -176.25 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -71.01 -20.34 62.41 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -174.661 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 34.3 m80 -101.92 -61.1 1.43 Allowed 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -172.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 142.99 64.22 0.02 OUTLIER Glycine 0 N--CA 1.453 -0.207 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -174.192 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 92' ' ' ILE . . . . . 1.029 HD11 HD12 ' A' ' 51' ' ' LEU . 4.7 mm -90.52 148.14 4.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -170.774 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 . . . . . 0 C--O 1.233 0.195 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.6 174.386 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.839 HG22 HD21 ' A' ' 62' ' ' LEU . 2.9 t . . . . . 0 CA--C 1.542 0.639 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 66.98 28.81 73.94 Favored Glycine 0 C--N 1.33 0.229 0 C-N-CA 120.483 -0.865 . . . . 0.0 110.997 -171.657 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.425 ' CZ2' ' HA ' ' A' ' 16' ' ' PRO . 70.0 t90 -116.16 142.04 47.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.377 -0.412 . . . . 0.0 111.242 -172.667 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -122.62 133.25 24.33 Favored Pre-proline 0 C--N 1.325 -0.492 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 174.328 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.425 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 10.1 Cg_endo -52.03 -27.37 28.53 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 123.642 2.895 . . . . 0.0 114.459 -175.567 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -104.83 -52.78 2.8 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.719 -0.392 . . . . 0.0 111.676 179.262 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -74.82 -17.78 60.56 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.635 -173.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.6 -157.03 26.2 Favored Glycine 0 N--CA 1.441 -0.996 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.959 176.547 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.422 ' HB3' HD21 ' A' ' 25' ' ' LEU . 94.4 m-85 -78.56 139.55 38.6 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.372 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -74.21 105.56 5.45 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 176.126 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.661 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 17.8 m -74.7 -3.26 4.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.495 -172.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -90.69 -32.95 15.98 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.944 0.402 . . . . 0.0 109.977 175.159 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -113.0 33.45 5.04 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.405 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.661 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 19.7 mt -69.38 123.31 20.9 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.615 175.292 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -63.55 140.43 97.76 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.934 177.424 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -41.14 -53.53 2.97 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 124.202 3.268 . . . . 0.0 114.004 -175.313 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.69 -49.44 73.14 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.708 -176.637 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.491 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 90.1 mt -56.15 -46.77 79.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.088 0.47 . . . . 0.0 110.569 175.492 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -34.78 76.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.232 -177.795 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.3 t -67.8 -51.6 46.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.826 175.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.759 HD13 HG13 ' B' ' 79' ' ' VAL . 50.0 tp -57.49 -57.26 13.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.961 -1.018 . . . . 0.0 112.582 -175.236 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.491 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 20.3 m-85 -59.43 -38.42 80.62 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.914 -170.662 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.7 t -66.03 -36.57 83.61 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.835 178.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -67.75 -39.41 84.21 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.4 0.619 . . . . 0.0 110.327 176.289 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.466 ' HB1' ' HB3' ' B' ' 83' ' ' LEU . . . -70.88 -11.27 60.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.769 -174.338 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.88 -1.51 58.0 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.794 178.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.602 HD13 HD13 ' A' ' 52' ' ' ILE . 8.6 mt -79.7 104.91 8.41 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.683 0 CA-C-O 120.977 0.418 . . . . 0.0 110.322 179.011 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.7 t -68.04 159.36 30.96 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.114 175.628 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -53.21 -38.52 62.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.913 0.387 . . . . 0.0 111.066 178.371 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.51 -41.13 98.53 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.09 0.471 . . . . 0.0 110.634 177.218 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 1.146 ' HG2' HG21 ' A' ' 48' ' ' THR . 42.5 tt0 -65.73 -28.23 68.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.64 -178.707 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 84.1 mt -70.79 -17.78 62.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.901 176.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 38.2 p -108.04 12.46 26.88 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.771 178.649 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.55 ' OD2' ' HA ' ' A' ' 42' ' ' GLN . 17.8 m-20 -89.84 135.06 33.86 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.91 172.651 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.48 -69.51 0.12 Allowed 'General case' 0 C--O 1.237 0.415 0 N-CA-C 113.326 0.862 . . . . 0.0 113.326 -169.554 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.432 ' H ' ' CD ' ' A' ' 47' ' ' GLU . 1.2 pm0 -62.97 -37.26 86.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.927 0.394 . . . . 0.0 110.817 -173.767 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' THR . . . . . 1.146 HG21 ' HG2' ' A' ' 42' ' ' GLN . 19.2 m -61.38 -55.93 26.02 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.031 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.0 t -61.51 -41.88 97.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.342 -173.296 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.425 ' HA ' ' HZ2' ' A' ' 14' ' ' TRP . 85.6 tttt -65.35 -38.35 89.83 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.599 -179.087 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.551 HD12 HD11 ' B' ' 92' ' ' ILE . 62.5 mt -75.36 -25.97 58.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.246 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.621 ' O ' ' HB3' ' A' ' 55' ' ' PHE . 57.0 mt -65.65 -43.68 93.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 CA-C-O 121.006 0.432 . . . . 0.0 110.321 170.193 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.546 ' HE1' HG21 ' A' ' 12' ' ' VAL . 88.4 t80 -65.96 -43.33 88.26 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 177.022 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.517 ' HB3' ' HA ' ' A' ' 51' ' ' LEU . 8.6 t70 -54.74 -35.09 63.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.418 173.604 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.87 ' HE1' ' HG3' ' B' ' 82' ' ' ARG . 35.4 t80 -66.11 -51.8 54.57 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.84 -1.073 . . . . 0.0 110.802 176.681 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 88.0 mt -57.99 -43.45 84.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.507 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -54.64 -52.59 61.81 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.617 172.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -56.82 -31.81 65.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.135 -0.939 . . . . 0.0 112.201 -178.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 85.1 mm-40 -78.89 -11.32 59.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.84 0.353 . . . . 0.0 111.416 -178.552 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.67 0.72 15.47 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.356 178.699 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 117.87 -165.14 12.65 Favored Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 120.862 -0.685 . . . . 0.0 111.766 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.839 HD21 HG22 ' A' ' 12' ' ' VAL . 9.1 mp -78.37 -44.52 24.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 117.147 0.473 . . . . 0.0 111.597 -170.001 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -60.15 -38.06 82.0 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.158 -177.461 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.571 ' O ' ' HG2' ' A' ' 68' ' ' GLU . . . -57.55 -52.92 63.42 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.239 179.076 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.47 ' CG1' HD22 ' A' ' 32' ' ' LEU . 87.6 t -58.39 -38.81 71.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.176 -176.254 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.531 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 69.9 mtp180 -61.16 -34.73 75.49 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.855 179.091 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -94.77 -20.83 19.16 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.965 -173.744 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.571 ' HG2' ' O ' ' A' ' 64' ' ' ALA . 27.8 mm-40 -56.4 -24.48 45.03 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 120.72 0.295 . . . . 0.0 110.775 179.221 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 51.2 mtt -57.82 -25.19 60.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.341 178.746 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 . . . . . 0 N--CA 1.452 -0.335 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.812 178.375 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.759 HG13 HD13 ' A' ' 32' ' ' LEU . 2.3 p . . . . . 0 CA--C 1.542 0.661 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.565 ' HB2' HD12 ' A' ' 32' ' ' LEU . . . -55.42 -27.61 48.93 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -70.38 -32.98 70.87 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.477 0.656 . . . . 0.0 110.368 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 82' ' ' ARG . . . . . 0.87 ' HG3' ' HE1' ' A' ' 55' ' ' PHE . 5.7 tpm_? -76.19 -24.18 54.72 Favored 'General case' 0 N--CA 1.436 -1.145 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.255 -175.285 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 0.604 ' HG ' ' CE2' ' A' ' 55' ' ' PHE . 0.6 OUTLIER -74.23 -43.26 57.78 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.84 -1.073 . . . . 0.0 110.48 179.858 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 84' ' ' MET . . . . . 0.408 ' HG2' ' O ' ' A' ' 36' ' ' ALA . 64.4 mtt -53.24 -50.22 65.22 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 121.347 0.594 . . . . 0.0 110.507 -178.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 85' ' ' GLN . . . . . 0.63 ' O ' ' HG3' ' B' ' 89' ' ' GLU . 21.7 mm-40 -64.07 -48.73 75.08 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.54 -179.237 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 86' ' ' HIS . . . . . 0.431 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 65.9 t60 -56.05 -33.81 65.31 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.866 -172.353 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 87' ' ' LEU . . . . . 0.551 HD22 HG12 ' B' ' 92' ' ' ILE . 75.2 mt -80.41 -52.09 8.07 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.115 0.483 . . . . 0.0 110.59 179.178 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.43 -25.02 64.0 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.573 -177.213 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 89' ' ' GLU . . . . . 0.63 ' HG3' ' O ' ' B' ' 85' ' ' GLN . 46.4 mt-10 -64.73 -23.99 67.42 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -104.58 -74.2 0.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.562 -0.455 . . . . 0.0 112.005 -174.606 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 162.75 44.65 0.02 OUTLIER Glycine 0 C--O 1.229 -0.156 0 C-N-CA 120.386 -0.912 . . . . 0.0 112.622 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 92' ' ' ILE . . . . . 0.551 HD11 HD12 ' A' ' 51' ' ' LEU . 1.7 mp -60.73 135.91 24.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.216 0.531 . . . . 0.0 112.17 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 . . . . . 0 C--N 1.325 -0.483 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 171.18 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.606 HG22 HD11 ' A' ' 62' ' ' LEU . 21.3 t . . . . . 0 CA--C 1.534 0.35 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -171.07 25.71 0.1 OUTLIER Glycine 0 N--CA 1.448 -0.534 0 N-CA-C 110.363 -1.095 . . . . 0.0 110.363 177.774 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.508 ' CZ2' ' HA ' ' A' ' 16' ' ' PRO . 71.7 t90 -110.25 135.78 50.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.318 -0.441 . . . . 0.0 111.288 -174.102 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -116.38 133.6 22.95 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.586 -0.733 . . . . 0.0 109.691 173.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.508 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 81.0 Cg_exo -43.7 -39.86 10.51 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 124.76 3.64 . . . . 0.0 115.066 -175.162 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -105.61 -28.98 10.43 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -176.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -97.12 -16.29 20.54 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -171.494 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 86.82 -162.41 34.18 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.59 177.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -78.78 151.06 32.2 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.231 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.436 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 31.2 t70 -86.2 114.21 22.84 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 171.233 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.641 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 17.0 m -78.05 -2.92 5.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.63 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.966 -173.347 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -87.61 -47.93 8.3 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.138 175.244 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -99.1 45.96 0.99 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.08 0.467 . . . . 0.0 110.731 176.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.641 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 13.2 mt -81.59 122.33 27.45 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.564 175.726 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -53.04 129.58 49.0 Favored Pre-proline 0 C--N 1.328 -0.328 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 174.351 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -49.73 -34.23 34.86 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 124.092 3.195 . . . . 0.0 114.051 -174.475 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.486 ' CG ' ' HE ' ' A' ' 66' ' ' ARG . 1.0 OUTLIER -75.23 -44.82 44.06 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 179.372 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.494 HD21 HD22 ' A' ' 62' ' ' LEU . 94.9 mt -58.45 -46.51 86.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.955 0.407 . . . . 0.0 109.983 175.64 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.8 ttp180 -60.38 -41.14 93.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.592 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.6 t -57.65 -49.39 76.62 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.208 0.528 . . . . 0.0 109.917 176.124 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.576 HD13 HG23 ' B' ' 79' ' ' VAL . 11.6 tp -62.48 -59.75 4.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.37 -0.832 . . . . 0.0 112.174 -177.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.46 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 9.5 m-30 -60.54 -33.75 73.12 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.593 -170.455 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.1 t -66.43 -36.47 82.87 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.721 177.649 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -68.98 -34.09 74.75 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.131 0.491 . . . . 0.0 110.474 176.701 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.01 -15.04 60.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.797 -175.345 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.02 -2.66 59.96 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.186 178.623 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.656 HD13 ' CD1' ' A' ' 52' ' ' ILE . 5.3 mt -74.85 112.06 11.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 177.376 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.4 t -90.16 174.82 7.41 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.583 -177.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.482 ' HA ' HG11 ' A' ' 22' ' ' VAL . 1.7 mp0 -52.0 -48.17 64.58 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.936 0.398 . . . . 0.0 111.365 -176.729 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.89 -36.65 81.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.205 0.526 . . . . 0.0 111.038 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.801 ' HG3' HG21 ' A' ' 48' ' ' THR . 3.8 tp60 -77.41 -27.32 52.29 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.636 -176.556 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.0 mt -74.82 -14.21 60.66 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.402 174.465 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.8 p -107.84 11.86 27.75 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 121.858 0.837 . . . . 0.0 109.423 178.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.601 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 34.0 t70 -80.43 163.23 23.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.422 175.421 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.46 -69.78 0.51 Allowed 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 -175.676 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -73.53 -36.12 65.64 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.771 -176.151 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.801 HG21 ' HG3' ' A' ' 42' ' ' GLN . 20.9 m -54.51 -50.33 68.08 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 111.76 0.281 . . . . 0.0 111.76 176.639 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 92.7 p -70.3 -39.71 74.67 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 120.873 -0.331 . . . . 0.0 111.557 -173.746 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -58.65 -43.42 89.81 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.956 -176.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.655 HD12 HG13 ' B' ' 92' ' ' ILE . 45.1 mt -66.45 -34.45 77.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.403 -178.383 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.656 ' CD1' HD13 ' A' ' 38' ' ' ILE . 34.2 mt -62.89 -45.22 99.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.144 176.147 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -63.43 -43.62 96.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.227 0.537 . . . . 0.0 109.918 178.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.36 -43.51 92.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.79 174.006 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.713 ' HE1' ' HG3' ' B' ' 82' ' ' ARG . 41.5 t80 -56.19 -46.84 79.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.01 176.161 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.696 HG21 HD23 ' A' ' 62' ' ' LEU . 96.5 mt -61.07 -43.83 97.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.068 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -64.64 -37.7 88.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.135 0.493 . . . . 0.0 110.131 176.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -62.88 -30.0 71.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.554 -178.554 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.522 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 62.3 mm-40 -86.14 -15.23 41.71 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.933 0.396 . . . . 0.0 111.36 -178.724 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.38 10.31 8.82 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.347 -0.93 . . . . 0.0 112.625 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.88 174.19 22.12 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.7 176.657 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.696 HD23 HG21 ' A' ' 56' ' ' ILE . 65.0 mt -52.54 -53.1 50.72 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.689 0.756 . . . . 0.0 111.607 -176.765 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -70.16 -22.41 62.98 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.871 -1.059 . . . . 0.0 112.042 -170.757 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.7 -37.71 48.99 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.181 0.515 . . . . 0.0 109.85 174.536 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.764 HG13 HG11 ' B' ' 79' ' ' VAL . 54.0 t -61.47 -36.6 74.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.229 176.498 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 73.3 mtp180 -59.14 -37.85 78.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.491 176.766 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -68.25 -41.46 81.1 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.03 -178.503 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.626 ' HG3' ' HA ' ' A' ' 65' ' ' VAL . 1.9 mm-40 -49.93 -35.74 25.15 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.872 0.732 . . . . 0.0 111.128 179.351 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.404 ' HE3' ' O ' ' A' ' 28' ' ' ASP . 39.5 mtt -56.93 -38.65 73.19 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.885 -176.459 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.32 -0.694 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.041 -177.491 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.764 HG11 HG13 ' A' ' 65' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.315 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.419 ' O ' ' HG3' ' B' ' 84' ' ' MET . . . -53.91 -43.73 69.97 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 -170.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 28.1 pt20 -69.37 -34.21 74.22 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.616 0.722 . . . . 0.0 109.638 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 82' ' ' ARG . . . . . 0.713 ' HG3' ' HE1' ' A' ' 55' ' ' PHE . 17.7 tpt180 -73.48 -16.8 61.29 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.503 -1.226 . . . . 0.0 110.142 -178.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 0.513 HD13 ' CD2' ' A' ' 55' ' ' PHE . 23.3 tp -94.12 -36.34 12.12 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.926 -176.059 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 84' ' ' MET . . . . . 0.419 ' HG3' ' O ' ' B' ' 80' ' ' ALA . 66.0 mtt -53.93 -48.83 69.81 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.149 0.499 . . . . 0.0 110.038 175.785 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 85' ' ' GLN . . . . . 0.455 ' O ' ' HG2' ' B' ' 89' ' ' GLU . 63.9 mt-30 -64.83 -34.86 79.37 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.658 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 86' ' ' HIS . . . . . 0.515 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 19.5 t60 -63.92 -27.09 68.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.08 -175.655 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 87' ' ' LEU . . . . . 0.605 HD12 HG21 ' B' ' 92' ' ' ILE . 2.8 mm? -87.87 -52.75 5.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.009 0.433 . . . . 0.0 110.855 176.116 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -50.5 -40.6 51.8 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 -172.111 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 89' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' B' ' 85' ' ' GLN . 17.6 mm-40 -62.08 -20.69 64.27 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -175.802 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -102.74 5.73 39.04 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -174.491 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 76.95 20.34 76.15 Favored Glycine 0 C--N 1.328 0.124 0 C-N-CA 120.145 -1.026 . . . . 0.0 112.389 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 92' ' ' ILE . . . . . 0.655 HG13 HD12 ' A' ' 51' ' ' LEU . 41.9 mm -58.62 148.54 6.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 C-N-CA 123.442 0.697 . . . . 0.0 110.897 178.701 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 23.8 mp0 . . . . . 0 C--N 1.325 -0.472 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.329 -177.834 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.62 HG13 HD21 ' A' ' 62' ' ' LEU . 26.3 t . . . . . 0 CA--C 1.541 0.626 0 CA-C-O 120.971 0.415 . . . . 0.0 112.097 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 72.55 27.39 69.55 Favored Glycine 0 N--CA 1.45 -0.398 0 N-CA-C 110.389 -1.084 . . . . 0.0 110.389 -173.15 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.718 ' CZ2' ' HA ' ' A' ' 16' ' ' PRO . 67.2 t90 -126.4 141.0 52.05 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.151 -0.525 . . . . 0.0 111.218 -173.25 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.542 ' HB2' ' HB2' ' A' ' 18' ' ' ASN . 2.2 m-20 -124.32 129.24 24.77 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.417 173.179 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.718 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 95.9 Cg_exo -43.86 -45.85 11.07 Favored 'Trans proline' 0 N--CA 1.472 0.254 0 C-N-CA 123.643 2.895 . . . . 0.0 114.624 -171.52 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -103.16 -4.57 24.24 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 111.887 0.329 . . . . 0.0 111.887 -174.247 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.542 ' HB2' ' HB2' ' A' ' 15' ' ' ASP . 17.7 m120 -108.11 -35.9 6.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.585 0.231 . . . . 0.0 111.317 -176.576 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.527 ' HA2' ' OG ' ' A' ' 49' ' ' SER . . . 108.54 -163.57 12.74 Favored Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 121.029 -0.605 . . . . 0.0 112.576 179.093 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.411 ' CD1' ' HB2' ' A' ' 14' ' ' TRP . 89.3 m-85 -88.44 132.78 34.33 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 177.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -77.59 80.49 4.07 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 176.4 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.615 ' HA ' ' HB3' ' A' ' 25' ' ' LEU . 3.6 p -50.69 -26.03 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 C-N-CA 123.682 0.793 . . . . 0.0 112.242 -177.059 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -69.39 -40.16 77.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.861 0.362 . . . . 0.0 110.545 178.333 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -117.12 43.45 2.3 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.721 0.772 . . . . 0.0 109.035 178.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.615 ' HB3' ' HA ' ' A' ' 22' ' ' VAL . 0.1 OUTLIER -99.94 133.72 43.9 Favored 'General case' 0 N--CA 1.438 -1.025 0 CA-C-N 114.517 -1.219 . . . . 0.0 109.912 -172.576 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -54.43 132.1 62.68 Favored Pre-proline 0 N--CA 1.466 0.327 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.923 -173.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -53.29 -38.89 82.46 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 124.282 3.321 . . . . 0.0 113.957 -177.64 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -71.64 -37.87 70.79 Favored 'General case' 0 CA--C 1.519 -0.242 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.281 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.573 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 98.3 mt -64.69 -42.97 94.93 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 175.178 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -56.2 -41.41 75.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.929 176.717 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.5 t -58.66 -49.35 77.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.505 175.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.834 HD13 HG13 ' B' ' 79' ' ' VAL . 57.2 tp -64.39 -55.17 22.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.396 -0.82 . . . . 0.0 112.11 -175.348 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.582 ' HB3' ' HB ' ' A' ' 38' ' ' ILE . 12.4 m-30 -61.69 -37.17 83.12 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.226 -171.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.3 t -63.24 -26.78 68.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 177.518 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 35.5 mtt180 -80.6 -35.57 33.92 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.773 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.4 -28.56 62.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.395 -177.399 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.64 -3.56 23.16 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.427 -0.892 . . . . 0.0 111.79 -176.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.674 HD13 HD13 ' A' ' 52' ' ' ILE . 43.0 mt -63.45 115.21 2.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 C-N-CA 122.688 0.395 . . . . 0.0 111.068 178.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 97.5 p -88.85 179.57 6.18 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.859 179.265 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -57.73 -40.93 80.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.216 0.531 . . . . 0.0 109.652 172.579 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.06 -32.03 73.26 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.867 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.611 ' HB3' HG21 ' A' ' 48' ' ' THR . 32.1 mt-30 -77.0 -38.66 52.68 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.07 179.019 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.525 HD21 ' CD2' ' A' ' 33' ' ' PHE . 28.4 mt -65.31 -24.75 67.36 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.734 176.75 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.7 p -106.72 15.29 25.82 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.447 0.641 . . . . 0.0 110.271 178.783 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.481 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 30.8 t70 -90.37 135.15 33.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.002 176.223 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.95 -55.9 22.75 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-O 121.572 0.701 . . . . 0.0 111.044 179.212 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -70.36 -54.64 11.66 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 114.748 -1.115 . . . . 0.0 111.052 -170.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.627 ' O ' HG13 ' A' ' 52' ' ' ILE . 17.5 m -51.44 -63.74 1.04 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.469 -0.787 . . . . 0.0 112.289 -179.637 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.555 ' HA ' HD12 ' A' ' 52' ' ' ILE . 97.6 p -59.91 -43.54 94.79 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -172.652 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.535 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 81.9 tttt -61.28 -38.64 87.52 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.715 -176.332 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.765 HD12 HD11 ' B' ' 92' ' ' ILE . 78.2 mt -81.36 -27.76 34.74 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.046 179.28 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.674 HD13 HD13 ' A' ' 38' ' ' ILE . 99.0 mt -58.64 -48.16 86.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 120.643 0.259 . . . . 0.0 110.381 171.006 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.43 ' CE1' HG21 ' A' ' 12' ' ' VAL . 62.5 t80 -61.62 -46.0 91.67 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.818 0.342 . . . . 0.0 110.567 178.521 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -54.55 -35.68 63.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.254 176.672 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.635 ' HB2' ' CD2' ' B' ' 86' ' ' HIS . 38.7 t80 -65.35 -49.8 68.01 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.01 174.651 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.516 HG23 HG21 ' A' ' 65' ' ' VAL . 98.2 mt -59.53 -37.66 71.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.49 -177.569 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -72.91 -20.25 61.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.256 0.55 . . . . 0.0 109.953 178.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.558 ' HB3' ' O ' ' A' ' 55' ' ' PHE . 27.7 t70 -70.82 -34.58 71.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.107 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -76.37 -20.25 57.36 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.819 0.342 . . . . 0.0 110.628 176.046 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.46 21.9 3.88 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.458 -0.877 . . . . 0.0 112.944 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 110.91 -177.74 19.38 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.474 -0.87 . . . . 0.0 113.058 173.331 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.62 HD21 HG13 ' A' ' 12' ' ' VAL . 96.5 mt -59.29 -52.02 67.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.766 0.317 . . . . 0.0 111.732 -176.159 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 10.9 mm-40 -62.43 -31.27 71.94 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.453 -175.658 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.78 -39.5 87.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.934 0.397 . . . . 0.0 110.897 -179.161 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.516 HG21 HG23 ' A' ' 56' ' ' ILE . 98.7 t -68.4 -30.36 47.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.492 0.663 . . . . 0.0 110.305 178.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.48 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 73.5 mtp180 -70.14 -26.81 64.12 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.909 177.313 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' A' ' 63' ' ' GLU . 51.5 mt-30 -72.42 -35.64 68.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.428 174.596 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.597 ' HB3' ' HB ' ' B' ' 79' ' ' VAL . 46.4 mm-40 -58.53 -25.15 62.14 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.681 178.057 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.518 ' C ' ' HD2' ' A' ' 70' ' ' ARG . 21.0 mmt -61.1 -19.17 61.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.855 177.663 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.518 ' HD2' ' C ' ' A' ' 69' ' ' MET . 3.4 mpt_? . . . . . 0 C--N 1.33 -0.265 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 177.243 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.834 HG13 HD13 ' A' ' 32' ' ' LEU . 2.0 p . . . . . 0 CA--C 1.543 0.704 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.495 ' O ' ' HG3' ' B' ' 84' ' ' MET . . . -52.85 -38.47 61.54 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -176.474 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 81' ' ' GLN . . . . . 0.479 ' HG3' ' N ' ' B' ' 82' ' ' ARG . 3.0 pt20 -64.27 -37.91 89.17 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.346 0.594 . . . . 0.0 110.629 -178.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 82' ' ' ARG . . . . . 0.622 ' HG2' ' HE1' ' A' ' 55' ' ' PHE . 38.7 ttm180 -72.93 -16.15 61.55 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.896 -176.815 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 0.655 HD21 HD11 ' A' ' 38' ' ' ILE . 29.5 tp -90.18 -37.37 14.21 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.069 -177.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 84' ' ' MET . . . . . 0.495 ' HG3' ' O ' ' B' ' 80' ' ' ALA . 55.7 mtt -54.72 -41.03 69.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.318 178.088 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 85' ' ' GLN . . . . . 0.613 ' O ' ' HG2' ' B' ' 89' ' ' GLU . 2.5 tt0 -73.68 -40.77 63.42 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.855 -178.213 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 86' ' ' HIS . . . . . 0.635 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 48.9 t60 -57.05 -34.6 68.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.452 -175.805 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 87' ' ' LEU . . . . . 0.537 ' HB3' ' CG1' ' B' ' 92' ' ' ILE . 27.1 mt -85.74 -42.38 14.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.027 0.442 . . . . 0.0 110.742 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.92 -33.69 64.91 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.269 -0.878 . . . . 0.0 112.095 -178.518 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 89' ' ' GLU . . . . . 0.613 ' HG2' ' O ' ' B' ' 85' ' ' GLN . 18.8 mm-40 -58.78 -31.45 68.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.904 0.383 . . . . 0.0 111.697 179.346 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -93.5 -58.42 2.29 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.388 -175.161 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 147.45 29.1 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.226 -0.988 . . . . 0.0 113.277 179.249 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 92' ' ' ILE . . . . . 0.765 HD11 HD12 ' A' ' 51' ' ' LEU . 1.7 mp -55.19 139.83 13.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.956 0.408 . . . . 0.0 111.403 178.032 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 . . . . . 0 C--N 1.326 -0.427 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.668 -176.583 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.516 HG22 HD11 ' A' ' 62' ' ' LEU . 61.6 t . . . . . 0 CA--C 1.533 0.306 0 N-CA-C 111.637 0.236 . . . . 0.0 111.637 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -168.67 26.44 0.12 Allowed Glycine 0 N--CA 1.441 -1.013 0 N-CA-C 108.866 -1.693 . . . . 0.0 108.866 174.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.45 ' CZ2' ' HA ' ' A' ' 16' ' ' PRO . 64.5 t90 -117.18 132.39 56.66 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 114.661 -0.769 . . . . 0.0 111.472 -170.17 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -111.69 132.82 21.72 Favored Pre-proline 0 C--N 1.32 -0.676 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 171.088 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.45 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 11.7 Cg_endo -54.21 -31.26 65.35 Favored 'Trans proline' 0 CA--C 1.528 0.188 0 C-N-CA 123.527 2.818 . . . . 0.0 114.02 -173.711 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -106.04 -34.4 7.58 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.998 0.369 . . . . 0.0 111.998 -177.141 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -94.92 -9.52 33.9 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -173.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.68 -163.19 38.35 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 121.018 -0.61 . . . . 0.0 112.375 178.483 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.53 ' HE2' ' HB ' ' A' ' 52' ' ' ILE . 67.5 m-85 -73.33 142.54 47.09 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 175.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.482 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 12.8 t70 -83.93 114.29 21.58 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 174.242 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.634 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 24.4 m -71.48 -21.63 21.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 -169.71 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -96.19 -15.84 21.82 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.465 178.099 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.429 ' HB2' ' HB3' ' A' ' 21' ' ' ASP . 86.0 m-20 -102.04 14.01 33.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.927 0.394 . . . . 0.0 110.243 172.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.634 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 17.9 mt -65.82 147.41 53.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.179 178.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.478 ' HB3' HD12 ' A' ' 29' ' ' LEU . 20.9 t70 -83.69 135.48 43.12 Favored Pre-proline 0 C--N 1.32 -0.674 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.525 178.089 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -42.54 -52.94 4.08 Favored 'Trans proline' 0 C--O 1.237 0.463 0 C-N-CA 123.335 2.69 . . . . 0.0 113.671 -177.192 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -69.67 -40.14 76.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.115 -176.731 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.504 HD21 HD22 ' A' ' 62' ' ' LEU . 89.8 mt -57.59 -47.23 82.68 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-O 121.114 0.483 . . . . 0.0 109.926 174.362 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -58.85 -44.39 90.97 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.334 -178.237 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.403 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 8.2 t -58.78 -49.51 77.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.495 0.664 . . . . 0.0 110.088 176.633 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.818 HD21 HG13 ' B' ' 79' ' ' VAL . 0.6 OUTLIER -61.58 -56.5 19.21 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.655 -1.157 . . . . 0.0 111.49 -174.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.479 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 14.4 m-30 -55.56 -39.78 71.08 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.763 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.1 t -62.2 -35.8 79.97 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.972 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.403 ' HG3' ' O ' ' A' ' 31' ' ' SER . 99.8 mtt180 -69.65 -40.74 76.29 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 121.016 0.436 . . . . 0.0 110.621 178.269 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.538 ' O ' ' HG2' ' B' ' 84' ' ' MET . . . -64.36 -29.64 70.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.261 -177.107 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.44 -12.54 21.26 Favored Glycine 0 N--CA 1.45 -0.429 0 N-CA-C 111.426 -0.67 . . . . 0.0 111.426 -177.58 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.59 HD13 ' CD1' ' A' ' 52' ' ' ILE . 43.9 mt -62.72 105.21 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-O 121.118 0.485 . . . . 0.0 110.342 178.796 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.6 m -81.1 169.34 17.56 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.403 -177.117 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.507 ' HG3' HG11 ' A' ' 22' ' ' VAL . 43.1 tt0 -50.77 -45.13 58.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.569 -178.396 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.4 -53.96 51.17 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.957 177.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.719 ' HB3' HG21 ' A' ' 48' ' ' THR . 54.5 mt-30 -53.38 -36.04 60.97 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.031 179.141 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.452 HD13 HD11 ' A' ' 25' ' ' LEU . 64.1 mt -72.06 -10.92 60.45 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.322 179.591 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.8 p -113.28 16.34 19.07 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.476 0.655 . . . . 0.0 109.824 174.362 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -97.45 147.1 24.57 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.168 174.217 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.77 -68.55 0.35 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -171.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.544 ' H ' ' CD ' ' A' ' 47' ' ' GLU . 1.3 pm0 -64.34 -39.77 94.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.114 -173.181 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.719 HG21 ' HB3' ' A' ' 42' ' ' GLN . 3.6 m -53.54 -58.04 8.57 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.158 176.759 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 27.9 m -63.47 -36.34 83.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.723 -176.113 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 47.4 tttp -61.55 -43.58 98.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.867 0.365 . . . . 0.0 110.261 -179.491 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.682 HD22 HG13 ' B' ' 92' ' ' ILE . 5.2 mp -65.45 -42.42 92.38 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.284 177.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.619 HG13 ' O ' ' A' ' 48' ' ' THR . 57.9 mt -57.4 -48.21 83.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.5 177.421 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -62.25 -44.68 96.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.059 0.457 . . . . 0.0 110.236 179.725 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.28 -47.46 78.55 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.5 174.366 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.601 ' HE1' ' HG3' ' B' ' 82' ' ' ARG . 56.8 t80 -54.23 -51.03 65.75 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.994 176.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.677 HG21 HD23 ' A' ' 62' ' ' LEU . 94.6 mt -59.46 -43.21 90.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.103 -177.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -68.9 -32.86 72.8 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.994 0.426 . . . . 0.0 110.259 179.323 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -66.62 -34.12 77.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.678 178.193 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 84.7 mm-40 -80.94 -10.94 59.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.951 179.224 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.67 -14.79 10.62 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.653 -0.784 . . . . 0.0 113.534 176.203 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.491 ' O ' HG13 ' A' ' 65' ' ' VAL . . . 132.8 -172.19 21.41 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.321 -0.942 . . . . 0.0 112.762 178.573 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.677 HD23 HG21 ' A' ' 56' ' ' ILE . 70.1 mt -66.68 -58.81 4.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.897 0.379 . . . . 0.0 111.175 -174.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.618 ' HA ' ' HD2' ' A' ' 66' ' ' ARG . 2.3 mp0 -62.55 -26.31 68.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.404 -178.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.521 ' O ' ' HG2' ' A' ' 68' ' ' GLU . . . -64.15 -52.66 57.97 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.198 177.818 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.574 ' HA ' ' CG ' ' A' ' 68' ' ' GLU . 2.1 m -70.24 -21.53 23.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.222 -179.086 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.618 ' HD2' ' HA ' ' A' ' 63' ' ' GLU . 92.6 mtt180 -60.69 -37.14 80.67 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-O 121.125 0.488 . . . . 0.0 110.099 171.352 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -75.39 -38.2 60.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.462 -179.08 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.574 ' CG ' ' HA ' ' A' ' 65' ' ' VAL . 4.4 mm-40 -54.98 -31.88 61.18 Favored 'General case' 0 C--N 1.331 -0.215 0 O-C-N 123.491 0.494 . . . . 0.0 111.235 179.722 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 37.0 mtt -50.08 -33.81 19.7 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.47 176.175 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 . . . . . 0 N--CA 1.448 -0.556 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.339 176.3 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.818 HG13 HD21 ' A' ' 32' ' ' LEU . 3.4 p . . . . . 0 CA--C 1.542 0.657 0 CA-C-O 121.239 0.542 . . . . 0.0 111.26 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.453 ' O ' ' HG3' ' B' ' 84' ' ' MET . . . -53.79 -51.87 62.11 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 112.802 0.668 . . . . 0.0 112.802 179.1 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -68.02 -37.24 81.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.917 0.389 . . . . 0.0 111.172 -175.164 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 82' ' ' ARG . . . . . 0.601 ' HG3' ' HE1' ' A' ' 55' ' ' PHE . 21.5 tpp180 -55.55 -38.2 69.0 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.563 0.697 . . . . 0.0 109.865 174.313 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 0.531 HD13 ' CD2' ' A' ' 55' ' ' PHE . 45.2 tp -75.95 -40.19 54.54 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.166 -0.924 . . . . 0.0 111.506 -178.589 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 84' ' ' MET . . . . . 0.538 ' HG2' ' O ' ' A' ' 36' ' ' ALA . 66.2 mtt -48.97 -54.03 17.31 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.32 0.581 . . . . 0.0 111.256 -179.193 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -67.53 -29.6 69.04 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.65 -175.62 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 86' ' ' HIS . . . . . 0.482 ' HA ' ' OE1' ' B' ' 89' ' ' GLU . 61.9 t60 -67.99 -20.76 65.06 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -176.029 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 87' ' ' LEU . . . . . 0.714 HD12 HG21 ' B' ' 92' ' ' ILE . 1.9 mm? -85.1 -43.26 14.05 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.375 -0.53 . . . . 0.0 110.365 174.49 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.23 -20.38 66.4 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.15 -176.047 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 89' ' ' GLU . . . . . 0.482 ' OE1' ' HA ' ' B' ' 86' ' ' HIS . 9.7 pt-20 -78.38 -10.71 59.8 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -175.544 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 90' ' ' HIS . . . . . 0.463 ' HB2' HD21 ' A' ' 51' ' ' LEU . 59.7 m80 -124.62 16.22 8.81 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 113.113 0.783 . . . . 0.0 113.113 -175.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 63.38 44.57 96.62 Favored Glycine 0 N--CA 1.458 0.115 0 C-N-CA 120.346 -0.93 . . . . 0.0 112.076 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 92' ' ' ILE . . . . . 0.714 HG21 HD12 ' B' ' 87' ' ' LEU . 37.8 mm -82.59 144.93 9.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 C-N-CA 123.136 0.575 . . . . 0.0 110.098 -178.529 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 C--N 1.331 -0.22 0 CA-C-O 121.055 0.455 . . . . 0.0 110.829 -176.511 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.634 HG22 HD21 ' A' ' 62' ' ' LEU . 10.5 t . . . . . 0 N--CA 1.469 0.523 0 CA-C-O 121.788 0.804 . . . . 0.0 112.686 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 161.97 37.17 0.02 OUTLIER Glycine 0 N--CA 1.442 -0.904 0 N-CA-C 107.762 -2.135 . . . . 0.0 107.762 -173.113 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.561 ' CZ2' ' HA ' ' A' ' 16' ' ' PRO . 57.3 t90 -126.65 143.25 51.29 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 113.93 -1.135 . . . . 0.0 110.582 -167.11 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.589 ' HB3' ' HB2' ' A' ' 18' ' ' ASN . 9.5 t70 -125.18 134.12 25.46 Favored Pre-proline 0 C--N 1.32 -0.683 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 174.64 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.561 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 3.3 Cg_endo -45.48 -49.23 10.76 Favored 'Trans proline' 0 CA--C 1.53 0.303 0 C-N-CA 124.09 3.193 . . . . 0.0 114.503 -171.21 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -103.07 -1.07 29.79 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 120.743 0.306 . . . . 0.0 111.711 -173.584 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.589 ' HB2' ' HB3' ' A' ' 15' ' ' ASP . 91.9 m-20 -112.41 -25.59 9.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.848 0.356 . . . . 0.0 111.734 -179.179 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.677 ' HA3' ' HA ' ' A' ' 44' ' ' THR . . . 96.7 -167.62 24.51 Favored Glycine 0 N--CA 1.442 -0.917 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.403 178.131 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.435 ' CD1' ' HB2' ' A' ' 14' ' ' TRP . 73.9 m-85 -76.42 140.53 41.35 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 178.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -71.44 97.68 1.68 Allowed 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 173.472 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.638 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 16.3 m -66.13 -6.71 4.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.754 -178.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -98.89 -9.86 23.64 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.21 175.746 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -117.88 13.97 14.14 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.238 179.156 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.638 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 19.4 mt -65.69 132.13 48.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.457 -175.677 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.411 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 15.6 t70 -72.91 138.25 79.63 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.041 -0.982 . . . . 0.0 109.624 175.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 26' ' ' ASP . 73.7 Cg_exo -49.74 -23.75 8.81 Favored 'Trans proline' 0 CA--C 1.531 0.342 0 C-N-CA 123.924 3.082 . . . . 0.0 114.191 -178.766 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -85.12 -44.65 12.79 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 179.226 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.2 mp -55.57 -46.68 77.18 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.103 0.478 . . . . 0.0 110.675 169.565 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -56.75 -33.84 66.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.184 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.402 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 23.0 t -70.44 -55.77 8.23 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.324 176.61 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.625 ' CD1' HG13 ' B' ' 79' ' ' VAL . 55.0 tp -59.91 -54.12 49.93 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.619 -0.718 . . . . 0.0 112.537 -171.043 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.506 ' HB3' ' HB ' ' A' ' 38' ' ' ILE . 14.6 m-30 -63.62 -36.2 83.03 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.751 -170.436 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 25.9 m -64.39 -36.78 85.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.882 176.73 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 31' ' ' SER . 78.4 mtp180 -76.27 -26.32 55.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.128 0.49 . . . . 0.0 110.076 178.64 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.32 -4.31 58.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.164 -0.926 . . . . 0.0 111.437 -177.122 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.93 -2.28 87.07 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.042 178.32 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.666 HD11 HD13 ' B' ' 83' ' ' LEU . 37.1 mt -70.33 105.2 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 CA-C-O 120.942 0.401 . . . . 0.0 110.185 177.099 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.5 t -81.19 171.24 15.12 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.78 177.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.497 ' HG3' HG11 ' A' ' 22' ' ' VAL . 30.2 tt0 -53.63 -38.6 64.22 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.951 0.405 . . . . 0.0 111.055 -177.179 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.71 -49.56 77.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.04 178.633 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.63 ' HB3' HG21 ' A' ' 48' ' ' THR . 38.6 mt-30 -59.28 -36.68 76.01 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.639 0.257 . . . . 0.0 111.612 -179.061 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.463 ' HG ' HG22 ' A' ' 38' ' ' ILE . 55.6 mt -66.36 -21.98 66.25 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 121.036 -0.265 . . . . 0.0 111.167 178.563 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.677 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 22.8 p -112.63 20.88 16.16 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.294 0.568 . . . . 0.0 110.415 179.526 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.656 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 27.5 t70 -98.54 134.54 41.35 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.209 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.9 -62.45 1.64 Allowed 'General case' 0 C--O 1.236 0.388 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -170.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -70.39 -47.68 59.73 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 121.127 -0.229 . . . . 0.0 111.154 -178.23 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.656 ' HB ' ' HB3' ' A' ' 45' ' ' ASP . 19.2 m -54.68 -53.27 57.05 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.2 t -63.98 -48.38 76.66 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.738 -172.514 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -65.85 -29.1 69.5 Favored 'General case' 0 C--N 1.334 -0.093 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.76 -177.28 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.69 HD12 HD11 ' B' ' 92' ' ' ILE . 68.1 mt -82.48 -24.29 34.28 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 121.031 -0.267 . . . . 0.0 111.484 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.591 HD13 HD13 ' A' ' 38' ' ' ILE . 75.1 mt -64.02 -45.83 95.6 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.228 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 165.028 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -59.15 -48.01 83.18 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.366 176.293 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.568 ' HB3' ' HA ' ' A' ' 51' ' ' LEU . 3.4 t70 -55.41 -41.67 73.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.698 174.528 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.553 ' HB3' ' O ' ' A' ' 52' ' ' ILE . 70.0 t80 -56.96 -51.94 67.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.658 176.24 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 77.6 mt -64.71 -41.28 91.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.026 -177.635 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -65.12 -38.7 91.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.316 177.616 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -60.16 -34.42 73.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.43 -179.028 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 25.2 mm-40 -79.3 -10.7 59.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.134 -177.135 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 112.64 19.84 6.79 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.469 -179.194 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 103.84 178.62 25.64 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.547 176.145 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.634 HD21 HG22 ' A' ' 12' ' ' VAL . 9.5 mp -59.82 -38.77 82.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.994 0.426 . . . . 0.0 111.216 -178.671 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.567 ' HA ' ' HD3' ' A' ' 66' ' ' ARG . 17.8 mm-40 -60.03 -28.2 67.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.004 -176.19 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.685 ' O ' ' HG2' ' A' ' 68' ' ' GLU . . . -71.88 -53.22 13.86 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.212 -179.541 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.532 ' HA ' ' CG ' ' A' ' 68' ' ' GLU . 53.5 t -57.44 -35.72 50.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.159 -179.518 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.567 ' HD3' ' HA ' ' A' ' 63' ' ' GLU . 45.0 mtp180 -58.82 -28.91 66.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.528 177.059 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.487 ' O ' ' HG2' ' A' ' 70' ' ' ARG . 51.3 mt-30 -93.38 -25.94 17.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.648 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.685 ' HG2' ' O ' ' A' ' 64' ' ' ALA . 3.6 mm-40 -63.07 -28.65 70.23 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.055 0.455 . . . . 0.0 110.344 176.502 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 13.5 mmt -52.6 -25.27 10.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.522 173.354 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.487 ' HG2' ' O ' ' A' ' 67' ' ' GLN . 6.3 ptp180 . . . . . 0 C--N 1.326 -0.422 0 CA-C-O 121.215 0.531 . . . . 0.0 109.912 177.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.625 HG13 ' CD1' ' A' ' 32' ' ' LEU . 8.1 p . . . . . 0 CA--C 1.542 0.667 0 CA-C-O 121.244 0.545 . . . . 0.0 111.117 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.48 -50.49 51.98 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.929 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.65 -24.86 67.13 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 122.075 0.941 . . . . 0.0 109.39 177.757 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 82' ' ' ARG . . . . . 0.402 ' HB3' ' O ' ' B' ' 79' ' ' VAL . 56.6 ttt180 -72.76 -16.3 61.65 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 113.666 -1.606 . . . . 0.0 110.4 -177.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 0.666 HD13 HD11 ' A' ' 38' ' ' ILE . 1.1 mt -87.67 -37.66 16.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.707 179.701 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 54.7 mtt -54.77 -42.0 71.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.19 177.753 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -66.0 -43.11 88.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.069 178.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 86' ' ' HIS . . . . . 0.48 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 48.7 t60 -71.75 -20.5 61.87 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 111.938 0.348 . . . . 0.0 111.938 -173.613 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 87' ' ' LEU . . . . . 0.445 ' HG ' HG23 ' A' ' 48' ' ' THR . 0.0 OUTLIER -87.24 -43.58 12.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.07 0.462 . . . . 0.0 110.311 173.828 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.95 -32.99 71.33 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.549 -178.646 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 89' ' ' GLU . . . . . 0.573 ' HG3' ' CD2' ' B' ' 90' ' ' HIS . 8.7 pt-20 -72.11 -6.42 42.43 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -177.198 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 90' ' ' HIS . . . . . 0.573 ' CD2' ' HG3' ' B' ' 89' ' ' GLU . 96.1 m-70 -129.04 13.5 6.24 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.457 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 73.37 30.22 62.86 Favored Glycine 0 CA--C 1.521 0.423 0 C-N-CA 120.695 -0.764 . . . . 0.0 113.879 174.462 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 92' ' ' ILE . . . . . 0.69 HD11 HD12 ' A' ' 51' ' ' LEU . 1.6 mp -60.73 153.08 5.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 C-N-CA 122.732 0.413 . . . . 0.0 110.772 172.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.182 175.792 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.504 HG21 HD11 ' A' ' 29' ' ' LEU . 7.2 p . . . . . 0 N--CA 1.48 1.063 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.429 ' H ' HG13 ' A' ' 12' ' ' VAL . . . -177.57 33.89 0.08 OUTLIER Glycine 0 N--CA 1.445 -0.741 0 N-CA-C 110.302 -1.119 . . . . 0.0 110.302 -179.377 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 84.2 t90 -115.78 132.77 56.54 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.3 -0.45 . . . . 0.0 111.071 -174.413 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -121.87 144.61 41.37 Favored Pre-proline 0 C--N 1.323 -0.575 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 172.616 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -52.31 -37.07 70.59 Favored 'Trans proline' 0 N--CA 1.477 0.533 0 C-N-CA 123.955 3.104 . . . . 0.0 115.676 -167.435 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -98.42 -44.29 6.57 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -174.022 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.467 ' O ' ' HA ' ' A' ' 44' ' ' THR . 3.3 p-10 -93.05 -0.58 57.09 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.742 -174.543 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 75.51 -137.1 21.26 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.722 -0.752 . . . . 0.0 113.05 175.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.52 ' HE2' ' HB ' ' A' ' 52' ' ' ILE . 65.4 m-85 -85.02 135.37 34.04 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.034 0.445 . . . . 0.0 110.622 -178.242 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.436 ' OD1' ' HB3' ' A' ' 23' ' ' ASN . 12.0 t70 -73.27 97.63 2.5 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 175.178 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.633 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 7.4 p -60.19 -25.34 33.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.644 -175.689 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.436 ' HB3' ' OD1' ' A' ' 21' ' ' ASP . 28.2 t-20 -69.29 -41.28 76.99 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.015 0.436 . . . . 0.0 110.425 178.268 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -98.7 18.5 16.73 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.767 -176.535 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.633 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 23.9 mt -65.8 129.99 41.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.265 0.555 . . . . 0.0 111.199 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -67.64 136.57 92.81 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.325 173.075 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -48.95 -30.89 18.8 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 123.974 3.116 . . . . 0.0 113.824 -179.522 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -77.16 -41.32 42.15 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 110.46 -0.2 . . . . 0.0 110.46 178.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.504 HD11 HG21 ' A' ' 12' ' ' VAL . 98.1 mt -64.36 -45.58 87.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.982 0.42 . . . . 0.0 110.151 175.651 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.9 tpt85 -54.56 -42.55 71.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.394 178.064 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.9 t -61.98 -53.64 52.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.09 177.655 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.502 ' HB2' ' HE2' ' A' ' 69' ' ' MET . 20.8 tp -57.42 -57.47 12.53 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 116.004 -0.544 . . . . 0.0 112.299 -175.011 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.434 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 18.4 m-30 -58.46 -41.9 86.23 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.716 -169.329 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.9 m -67.94 -29.6 68.7 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.458 178.446 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.446 HH11 ' HD2' ' A' ' 35' ' ' ARG . 14.9 mtp180 -71.38 -28.03 63.75 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.127 0.489 . . . . 0.0 110.485 174.233 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.47 1.5 54.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.615 -176.636 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.25 -20.85 45.62 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 121.243 -0.504 . . . . 0.0 111.872 -179.209 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.69 HD13 HD13 ' A' ' 52' ' ' ILE . 14.7 mt -62.58 105.53 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.144 0.497 . . . . 0.0 110.556 -179.725 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.7 m -94.58 -174.9 3.45 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.937 -178.081 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -51.23 -50.38 59.26 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 122.727 0.411 . . . . 0.0 111.512 -177.785 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.11 -50.01 72.27 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.496 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.633 ' HB3' HG21 ' A' ' 48' ' ' THR . 42.2 mt-30 -61.4 -33.92 74.49 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -177.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.53 HD13 HD11 ' A' ' 25' ' ' LEU . 39.5 mt -74.11 -13.8 60.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.718 0.294 . . . . 0.0 111.355 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.467 ' HA ' ' O ' ' A' ' 18' ' ' ASN . 3.6 p -115.08 19.22 15.87 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.394 0.616 . . . . 0.0 110.344 176.587 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.01 143.66 32.28 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.439 176.142 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.79 -69.1 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -172.63 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -60.94 -45.65 93.86 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.408 -173.117 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.633 HG21 ' HB3' ' A' ' 42' ' ' GLN . 16.8 m -51.97 -59.9 3.81 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 178.286 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.9 m -62.79 -35.91 81.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.821 -174.474 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -61.01 -39.92 91.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.936 0.398 . . . . 0.0 110.48 -178.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.552 HD12 HD11 ' B' ' 92' ' ' ILE . 63.9 mt -73.97 -36.54 64.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.142 179.427 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.69 HD13 HD13 ' A' ' 38' ' ' ILE . 28.8 mt -61.16 -44.24 97.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.935 0.398 . . . . 0.0 110.473 176.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.441 ' CE1' HG12 ' A' ' 12' ' ' VAL . 17.6 t80 -65.93 -40.81 91.73 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.936 179.131 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -60.17 -40.69 90.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.34 173.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.68 ' CZ ' HG12 ' B' ' 79' ' ' VAL . 38.9 t80 -59.84 -49.61 77.03 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.164 177.55 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.463 HG12 HG21 ' A' ' 65' ' ' VAL . 96.5 mt -57.82 -45.35 87.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.658 179.383 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -65.4 -40.39 93.36 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.333 176.304 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -63.27 -31.66 72.87 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.776 -178.22 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -78.53 0.17 27.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.995 0.426 . . . . 0.0 111.451 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.43 -14.97 10.78 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.354 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 133.79 178.91 15.91 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.669 178.005 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.41 ' O ' ' HG3' ' A' ' 66' ' ' ARG . 22.7 tp -60.09 -31.08 69.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.659 0.266 . . . . 0.0 111.624 -176.178 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.487 ' O ' ' HG2' ' A' ' 67' ' ' GLN . 1.8 tt0 -70.86 -42.43 70.12 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.862 -178.381 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.479 ' O ' ' HG3' ' A' ' 68' ' ' GLU . . . -59.56 -41.56 90.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.419 -174.702 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.606 HG13 HG11 ' B' ' 79' ' ' VAL . 82.7 t -63.69 -39.22 84.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.559 -178.028 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 66' ' ' ARG . 30.4 mtp180 -66.19 -29.99 70.37 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.386 179.199 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.487 ' HG2' ' O ' ' A' ' 63' ' ' GLU . 15.4 mm-40 -74.8 -36.63 62.46 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.319 -179.119 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.479 ' HG3' ' O ' ' A' ' 64' ' ' ALA . 19.1 mt-10 -62.14 -23.04 66.33 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.802 -175.846 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.502 ' HE2' ' HB2' ' A' ' 32' ' ' LEU . 12.4 mmt -56.26 -36.69 68.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.443 0.64 . . . . 0.0 110.815 177.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.442 -0.835 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.334 179.391 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.68 HG12 ' CZ ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.466 0.335 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -54.83 -41.42 70.67 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 -170.514 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -69.7 -32.82 71.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.548 0.689 . . . . 0.0 109.75 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 82' ' ' ARG . . . . . 0.454 ' HG3' ' HE1' ' A' ' 55' ' ' PHE . 17.2 tpt180 -76.13 -15.2 60.12 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.632 -1.167 . . . . 0.0 109.947 -176.266 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 0.53 HD13 ' CD1' ' A' ' 38' ' ' ILE . 1.7 mt -84.12 -39.12 19.87 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.078 -179.597 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 63.8 mtt -58.65 -35.28 72.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.156 0.503 . . . . 0.0 109.797 178.336 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -73.55 -36.16 65.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.592 178.208 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 86' ' ' HIS . . . . . 0.45 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 27.3 t60 -71.69 -36.43 70.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.481 -171.34 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 87' ' ' LEU . . . . . 0.68 HD12 HG13 ' B' ' 92' ' ' ILE . 0.6 OUTLIER -77.42 -38.22 50.15 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.866 177.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.37 -24.16 66.28 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -172.63 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -83.98 4.11 31.26 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -174.035 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -125.62 -97.36 0.42 Allowed 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 119.964 -0.694 . . . . 0.0 112.107 -178.306 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -166.48 56.33 0.24 Allowed Glycine 0 N--CA 1.453 -0.187 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -177.636 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 92' ' ' ILE . . . . . 0.68 HG13 HD12 ' B' ' 87' ' ' LEU . 22.2 mm -96.58 147.74 5.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.241 -0.479 . . . . 0.0 110.963 -173.333 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 . . . . . 0 C--N 1.328 -0.361 0 CA-C-O 120.968 0.413 . . . . 0.0 110.215 176.964 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.487 HG22 ' O ' ' A' ' 12' ' ' VAL . 12.6 p . . . . . 0 N--CA 1.478 0.961 0 N-CA-C 113.858 1.058 . . . . 0.0 113.858 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 56.22 24.52 44.71 Favored Glycine 0 CA--C 1.521 0.455 0 C-N-CA 121.277 -0.487 . . . . 0.0 112.891 179.413 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.546 ' CZ2' ' HA ' ' A' ' 16' ' ' PRO . 67.0 t90 -116.33 139.15 50.71 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.819 0.342 . . . . 0.0 110.643 -175.627 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -123.69 134.59 25.4 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 174.491 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.546 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 1.0 OUTLIER -42.79 -39.43 7.39 Favored 'Trans proline' 0 CA--C 1.535 0.557 0 C-N-CA 124.28 3.32 . . . . 0.0 115.675 -170.156 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -103.47 -43.56 5.37 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 122.143 -0.348 . . . . 0.0 111.934 -173.618 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -85.86 -7.88 58.43 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -175.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.401 ' HA3' ' HA ' ' A' ' 44' ' ' THR . . . 80.62 -154.3 35.98 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.781 -0.723 . . . . 0.0 113.11 175.153 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.41 ' HB2' ' HB3' ' A' ' 43' ' ' LEU . 90.7 m-85 -78.91 131.88 36.55 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 179.588 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -76.09 84.29 2.94 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 174.347 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.732 ' HA ' ' HB3' ' A' ' 25' ' ' LEU . 24.8 m -54.07 -25.78 13.53 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.556 -175.517 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 30.8 p-10 -80.9 -10.09 59.76 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 120.967 0.413 . . . . 0.0 110.962 -179.272 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -127.61 19.09 6.77 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 175.488 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.732 ' HB3' ' HA ' ' A' ' 22' ' ' VAL . 0.2 OUTLIER -94.1 133.94 37.05 Favored 'General case' 0 N--CA 1.435 -1.202 0 CA-C-N 114.809 -1.087 . . . . 0.0 110.285 -168.924 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.488 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 11.9 t70 -58.3 129.62 83.52 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.392 -176.318 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.488 ' HD3' ' HA ' ' A' ' 26' ' ' ASP . 52.3 Cg_exo -55.53 -29.81 71.21 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 124.076 3.184 . . . . 0.0 114.148 -177.183 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -76.37 -43.63 39.89 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 -178.475 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.535 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 95.8 mt -59.89 -43.78 94.61 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 171.251 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -56.0 -43.38 77.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.676 179.344 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.5 t -60.05 -51.1 71.1 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.063 175.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.896 HD21 HG13 ' B' ' 79' ' ' VAL . 1.3 tm? -59.47 -55.4 35.05 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.948 -1.024 . . . . 0.0 111.592 -174.819 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.55 ' HB3' HD21 ' A' ' 43' ' ' LEU . 14.5 m-85 -59.96 -43.89 94.77 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.044 -178.116 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.6 t -65.05 -33.79 76.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.653 178.468 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.5 mtt180 -65.64 -28.05 68.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.102 0.477 . . . . 0.0 110.998 175.513 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.88 10.09 30.19 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.32 -177.11 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.08 -13.35 65.03 Favored Glycine 0 C--N 1.331 0.251 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.972 175.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.716 HD13 HD11 ' A' ' 52' ' ' ILE . 6.8 mt -70.92 112.55 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.878 0.37 . . . . 0.0 111.133 -179.599 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.4 t -73.85 165.21 25.52 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.276 176.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -59.63 -40.72 88.54 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.947 0.404 . . . . 0.0 110.921 -179.595 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.62 -30.17 71.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.503 0.668 . . . . 0.0 110.491 177.165 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.648 ' HG3' HG21 ' A' ' 48' ' ' THR . 2.6 tp-100 -76.81 -22.89 52.97 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.948 -179.281 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.55 HD21 ' HB3' ' A' ' 33' ' ' PHE . 87.0 mt -72.67 -18.71 61.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.533 175.408 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.401 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 52.1 p -97.89 2.68 49.46 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.307 0.575 . . . . 0.0 110.104 176.693 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.639 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 28.8 t70 -72.11 138.61 47.87 Favored 'General case' 0 CA--C 1.522 -0.115 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.858 175.656 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.43 -62.72 1.58 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -174.535 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.5 pm0 -70.31 -43.46 70.29 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 121.326 -0.15 . . . . 0.0 111.324 -176.551 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.648 HG21 ' HG3' ' A' ' 42' ' ' GLN . 38.9 m -54.54 -55.68 26.73 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.424 ' HB3' ' O ' ' A' ' 43' ' ' LEU . 92.5 p -66.35 -41.76 89.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.676 0.274 . . . . 0.0 111.219 -175.023 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -56.83 -43.57 81.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.701 -178.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.786 HD12 HD11 ' B' ' 92' ' ' ILE . 85.3 mt -81.06 -24.99 37.43 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.246 -176.826 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.716 HD11 HD13 ' A' ' 38' ' ' ILE . 45.9 mt -63.23 -45.37 98.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.373 168.334 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -60.64 -45.86 92.48 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.897 0.38 . . . . 0.0 110.248 177.115 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -57.32 -38.41 73.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.369 174.612 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 1.035 ' HE1' ' HG3' ' B' ' 82' ' ' ARG . 46.5 t80 -59.39 -46.91 87.35 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.363 176.042 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 52' ' ' ILE . 77.4 mt -64.31 -38.97 83.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.368 -177.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -66.47 -37.01 84.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.245 175.384 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.461 ' HB3' ' O ' ' A' ' 55' ' ' PHE . 20.7 t70 -58.41 -33.4 69.62 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.345 178.635 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 20.5 mm100 -78.89 -19.97 50.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.375 -179.277 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 117.4 8.02 11.69 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.578 -0.82 . . . . 0.0 111.973 -176.653 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.67 -170.2 13.31 Favored Glycine 0 N--CA 1.44 -1.04 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.45 177.089 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.3 mp -71.74 -33.76 68.96 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.638 0.256 . . . . 0.0 111.57 -173.595 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -70.17 -28.94 65.73 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.898 0.38 . . . . 0.0 110.639 -177.299 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.468 ' O ' ' HG2' ' A' ' 68' ' ' GLU . . . -68.68 -51.06 45.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.789 179.699 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 45.9 t -59.52 -36.96 67.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.455 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 65.9 mtt180 -58.6 -31.2 67.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.226 176.512 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -87.11 -29.3 21.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.469 -177.745 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.715 ' CB ' ' HB ' ' B' ' 79' ' ' VAL . 7.5 mm-40 -63.74 -20.92 66.12 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.656 0.265 . . . . 0.0 110.72 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 9.5 mmt -55.13 -19.9 8.77 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.653 178.225 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 . . . . . 0 N--CA 1.447 -0.587 0 CA-C-O 121.309 0.576 . . . . 0.0 110.222 175.653 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.896 HG13 HD21 ' A' ' 32' ' ' LEU . 2.3 p . . . . . 0 CA--C 1.536 0.437 0 CA-C-O 121.116 0.484 . . . . 0.0 111.067 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -54.56 -30.15 53.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.125 0.488 . . . . 0.0 111.153 176.113 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 81' ' ' GLN . . . . . 0.646 ' HA ' ' HE2' ' B' ' 84' ' ' MET . 11.1 pt20 -70.84 -36.22 72.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.634 -178.786 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 82' ' ' ARG . . . . . 1.035 ' HG3' ' HE1' ' A' ' 55' ' ' PHE . 23.4 tpt180 -75.73 -20.74 58.12 Favored 'General case' 0 N--CA 1.44 -0.927 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.547 -176.108 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 0.53 HD13 ' CG ' ' A' ' 55' ' ' PHE . 14.5 tp -81.89 -41.84 20.38 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.557 -179.639 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 84' ' ' MET . . . . . 0.646 ' HE2' ' HA ' ' B' ' 81' ' ' GLN . 60.7 mtm -61.22 -40.33 93.6 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.972 0.415 . . . . 0.0 110.669 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 85' ' ' GLN . . . . . 0.54 ' O ' ' HG2' ' B' ' 89' ' ' GLU . 15.2 mm100 -65.8 -42.91 90.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.58 178.331 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 86' ' ' HIS . . . . . 0.438 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 78.4 t60 -66.48 -33.18 75.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.336 -175.347 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 87' ' ' LEU . . . . . 0.709 HD22 HG12 ' B' ' 92' ' ' ILE . 87.5 mt -77.65 -39.43 45.12 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.052 0.453 . . . . 0.0 110.696 179.478 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.27 -14.22 36.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.712 179.153 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 89' ' ' GLU . . . . . 0.54 ' HG2' ' O ' ' B' ' 85' ' ' GLN . 21.7 mm-40 -73.25 -18.72 61.2 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -126.07 -24.19 3.78 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 -173.166 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 108.25 48.19 0.89 Allowed Glycine 0 CA--C 1.518 0.227 0 C-N-CA 120.164 -1.017 . . . . 0.0 113.475 176.504 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 92' ' ' ILE . . . . . 0.786 HD11 HD12 ' A' ' 51' ' ' LEU . 1.7 mp -64.2 145.79 13.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 122.44 0.296 . . . . 0.0 110.807 173.105 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.363 177.663 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.744 0 N-CA-C 112.623 -0.191 . . . . 0.0 112.623 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 43.0 m80 -147.6 39.76 0.98 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 176.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.41 ' HG3' ' H ' ' A' ' 4' ' ' SER . 20.5 ptm -61.36 -61.69 2.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.922 -174.506 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.41 ' H ' ' HG3' ' A' ' 3' ' ' MET . 20.3 m -158.33 125.25 4.88 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 73.33 72.96 0.93 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.633 176.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 22.9 p90 -87.15 118.28 26.45 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.143 0.496 . . . . 0.0 110.515 178.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -83.24 57.18 3.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.499 0.666 . . . . 0.0 110.588 -177.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.422 ' HB3' ' CA ' ' A' ' 61' ' ' GLY . 6.7 p-80 -178.62 96.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.718 -1.128 . . . . 0.0 108.486 -179.282 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.538 HG12 ' H ' ' A' ' 11' ' ' HIS . 31.2 t -72.66 121.08 22.43 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 -174.5 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.8 m -63.64 -15.53 58.52 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.259 -176.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.538 ' H ' HG12 ' A' ' 9' ' ' VAL . 20.9 m170 -57.91 -60.16 4.14 Favored 'General case' 0 C--O 1.221 -0.402 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 170.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.538 HG22 ' O ' ' A' ' 12' ' ' VAL . 14.1 p 35.75 36.81 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.556 1.187 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 174.271 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 53.28 29.06 36.6 Favored Glycine 0 CA--C 1.522 0.474 0 O-C-N 121.727 -0.608 . . . . 0.0 112.804 -177.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.577 ' CH2' ' HA ' ' A' ' 16' ' ' PRO . 59.5 t90 -120.76 143.57 48.74 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 122.888 0.475 . . . . 0.0 110.18 -175.514 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -111.13 129.03 24.43 Favored Pre-proline 0 C--N 1.318 -0.785 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 174.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.577 ' HA ' ' CH2' ' A' ' 14' ' ' TRP . 4.2 Cg_endo -46.78 -32.45 12.28 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 124.287 3.325 . . . . 0.0 114.231 -174.736 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -105.56 -53.49 2.64 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -178.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -92.57 14.24 17.48 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.67 0.618 . . . . 0.0 112.67 -169.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.523 ' HA2' ' OG ' ' A' ' 49' ' ' SER . . . 82.2 -166.62 46.37 Favored Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.598 -0.811 . . . . 0.0 113.906 169.614 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.567 ' HA ' ' HA ' ' A' ' 14' ' ' TRP . 87.8 m-85 -70.55 130.14 41.07 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.142 -0.529 . . . . 0.0 110.703 -178.441 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -74.69 91.76 2.4 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 175.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.697 ' HA ' ' HB3' ' A' ' 25' ' ' LEU . 31.5 m -60.63 -11.74 4.2 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -173.124 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -83.93 -32.72 24.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.166 0.508 . . . . 0.0 109.78 175.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -109.94 28.51 8.52 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.003 177.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.697 ' HB3' ' HA ' ' A' ' 22' ' ' VAL . 0.7 OUTLIER -98.15 123.71 42.34 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-N 115.133 -0.939 . . . . 0.0 109.576 -172.29 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.55 ' OD2' ' HB2' ' A' ' 28' ' ' ASP . 28.6 t70 -58.67 129.47 84.78 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.114 -176.48 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' A' ' 26' ' ' ASP . 51.9 Cg_exo -56.05 -34.58 92.94 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 123.954 3.103 . . . . 0.0 113.682 -178.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.55 ' HB2' ' OD2' ' A' ' 26' ' ' ASP . 6.4 m-20 -67.89 -44.76 76.25 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 120.993 0.425 . . . . 0.0 109.889 178.322 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.601 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 96.9 mt -59.31 -46.78 87.64 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.647 172.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.0 ttt180 -56.31 -39.9 73.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.815 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.419 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 8.1 t -57.84 -53.55 57.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.728 176.409 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.826 HD13 HG13 ' B' ' 79' ' ' VAL . 45.0 tp -58.32 -50.91 71.95 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.058 -0.974 . . . . 0.0 111.572 -177.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.601 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 17.2 m-30 -62.58 -42.09 99.34 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.386 -173.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.7 t -64.95 -33.49 76.17 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.725 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 31' ' ' SER . 98.8 mtt180 -67.91 -45.82 73.32 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.371 0.605 . . . . 0.0 110.103 175.697 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.91 -23.81 67.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.617 -1.174 . . . . 0.0 111.628 -176.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 115.0 -17.48 17.32 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.896 -0.669 . . . . 0.0 111.553 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.532 ' CD1' HD13 ' B' ' 83' ' ' LEU . 6.1 mt -65.06 111.6 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 CA-C-N 115.098 -0.551 . . . . 0.0 110.384 178.709 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.9 t -91.46 179.94 5.54 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.368 178.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.526 ' HG3' HG11 ' A' ' 22' ' ' VAL . 45.0 tt0 -54.16 -46.05 72.21 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 122.897 0.479 . . . . 0.0 111.058 -177.392 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.92 -53.77 54.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.179 176.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.622 ' HB3' HG21 ' A' ' 48' ' ' THR . 50.1 mt-30 -57.59 -41.05 80.39 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.991 -0.284 . . . . 0.0 111.08 -179.427 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.5 mt -60.73 -26.24 67.04 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.476 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.9 p -102.61 13.36 34.68 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.141 0.496 . . . . 0.0 110.818 -177.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.448 ' OD1' ' HB1' ' B' ' 99' ' ' ALA . 9.2 t70 -93.9 152.31 18.96 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.783 176.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.46 -69.2 0.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -174.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -65.85 -37.05 85.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.758 -172.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.65 ' HA ' HG13 ' B' ' 92' ' ' ILE . 35.7 m -58.77 -60.1 4.38 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.696 179.328 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.523 ' OG ' ' HA2' ' A' ' 19' ' ' GLY . 96.8 p -66.91 -36.26 81.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 0.0 111.478 -174.52 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.4 tttp -56.57 -43.94 80.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.094 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.579 HD12 HD11 ' B' ' 92' ' ' ILE . 42.2 mt -80.36 -22.85 40.97 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.551 -179.058 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.624 ' O ' ' HB3' ' A' ' 55' ' ' PHE . 59.9 mt -65.13 -42.81 95.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.639 0.257 . . . . 0.0 110.827 170.524 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -64.03 -46.61 83.69 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.264 -0.575 . . . . 0.0 110.171 176.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -56.5 -38.96 72.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.184 0.516 . . . . 0.0 110.107 175.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.632 ' CZ ' ' HG ' ' B' ' 83' ' ' LEU . 32.6 t80 -54.72 -56.69 16.53 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.349 -0.842 . . . . 0.0 110.713 173.465 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.729 HG21 HD23 ' A' ' 62' ' ' LEU . 68.7 mt -59.12 -37.87 70.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.231 -177.363 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -75.0 -23.96 58.34 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.707 -177.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -64.93 -39.25 93.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -85.57 1.99 46.77 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 120.66 -0.416 . . . . 0.0 111.576 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.32 -26.26 7.45 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.185 -1.007 . . . . 0.0 113.802 175.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.422 ' CA ' ' HB3' ' A' ' 8' ' ' HIS . . . 148.72 -165.6 29.2 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 119.679 -1.248 . . . . 0.0 113.536 178.728 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.729 HD23 HG21 ' A' ' 56' ' ' ILE . 96.7 mt -67.24 -50.36 60.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.858 0.361 . . . . 0.0 111.429 -174.635 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.575 ' O ' ' HG2' ' A' ' 67' ' ' GLN . 6.1 mm-40 -61.07 -32.73 72.37 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.342 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.58 -50.38 67.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.649 -175.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.958 ' HA ' ' HG3' ' A' ' 68' ' ' GLU . 5.3 m -71.2 -26.51 27.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.031 0.444 . . . . 0.0 110.424 -178.001 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.484 ' O ' ' HB2' ' A' ' 69' ' ' MET . 63.3 mtt180 -66.35 -35.65 80.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.909 174.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.575 ' HG2' ' O ' ' A' ' 63' ' ' GLU . 14.4 mm100 -69.3 -34.8 75.23 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.5 177.541 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.958 ' HG3' ' HA ' ' A' ' 65' ' ' VAL . 3.3 mt-10 -59.63 -29.99 68.4 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.263 0.352 . . . . 0.0 110.278 177.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.595 ' HA ' ' HB2' ' B' ' 78' ' ' ASP . 36.8 mtt -56.39 -36.34 68.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.962 0.41 . . . . 0.0 110.784 178.363 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.0 mpt_? -107.86 13.91 25.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.275 -178.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.1 tmm_? -140.86 -63.03 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.362 0.505 . . . . 0.0 112.362 -171.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.023 0 CA-C-O 117.882 -1.056 . . . . 0.0 110.122 -175.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.825 0 N-CA-C 111.289 -0.724 . . . . 0.0 111.289 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 74.5 t60 -71.42 -7.48 47.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.801 0.301 . . . . 0.0 111.364 -173.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' MET . . . . . . . . . . . . . 50.2 ttm -78.64 69.88 4.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.314 0.578 . . . . 0.0 110.89 179.143 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' LEU . . . . . 0.713 ' HB2' ' HB3' ' B' ' 81' ' ' GLN . 28.9 mt -119.83 146.69 42.42 Favored Pre-proline 0 C--N 1.327 -0.413 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.808 175.261 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -88.3 11.12 3.18 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 123.013 2.475 . . . . 0.0 113.804 -173.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 78' ' ' ASP . . . . . 0.595 ' HB2' ' HA ' ' A' ' 69' ' ' MET . 9.3 p-10 -143.13 -168.57 2.83 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.843 0.354 . . . . 0.0 111.361 -176.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.826 HG13 HD13 ' A' ' 32' ' ' LEU . 2.4 p -60.82 -17.74 16.08 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 CA-C-N 115.755 -0.657 . . . . 0.0 112.407 -178.138 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.33 -32.28 73.02 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -176.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' GLN . . . . . 0.713 ' HB3' ' HB2' ' B' ' 76' ' ' LEU . 2.4 pt20 -65.89 -35.87 81.83 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.414 0.626 . . . . 0.0 109.391 177.375 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 82' ' ' ARG . . . . . 0.523 ' N ' ' HG3' ' B' ' 81' ' ' GLN . 4.6 tpp180 -63.25 -23.73 67.55 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 114.73 -1.123 . . . . 0.0 110.485 -176.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 0.632 ' HG ' ' CZ ' ' A' ' 55' ' ' PHE . 1.8 mt -82.03 -37.15 26.94 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.878 -176.59 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 59.5 mtt -59.64 -35.9 75.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.628 -178.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -71.03 -40.48 71.71 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.775 178.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 86' ' ' HIS . . . . . 0.485 ' HA ' ' OE2' ' B' ' 89' ' ' GLU . 30.7 t60 -73.96 -29.02 61.77 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -169.53 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.609 ' HA ' HD13 ' B' ' 92' ' ' ILE . 0.3 OUTLIER -80.66 -38.7 28.58 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.17 -0.612 . . . . 0.0 110.075 174.45 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.53 -32.06 71.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.7 -176.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.485 ' OE2' ' HA ' ' B' ' 86' ' ' HIS . 13.0 pt-20 -74.37 0.15 15.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.884 -177.15 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 42.4 m80 -122.21 -64.19 1.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.575 -0.45 . . . . 0.0 112.191 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 148.98 32.19 0.05 OUTLIER Glycine 0 C--N 1.329 0.185 0 C-N-CA 120.422 -0.894 . . . . 0.0 112.929 -179.336 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 92' ' ' ILE . . . . . 0.65 HG13 ' HA ' ' A' ' 48' ' ' THR . 1.7 mp -59.37 143.96 13.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.922 0.391 . . . . 0.0 111.626 178.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 93' ' ' GLN . . . . . 0.44 ' HA ' ' HD3' ' B' ' 94' ' ' PRO . 22.6 tp60 -82.54 126.26 74.09 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.084 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 94' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' B' ' 93' ' ' GLN . 30.6 Cg_exo -60.86 159.57 28.63 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 123.539 2.826 . . . . 0.0 113.143 -178.074 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.11 82.63 0.98 Allowed 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.57 179.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 96' ' ' ARG . . . . . 0.626 ' HG3' ' OD1' ' B' ' 97' ' ' ASN . 16.3 tpt180 -156.81 -79.75 0.08 Allowed 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.618 -175.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 97' ' ' ASN . . . . . 0.626 ' OD1' ' HG3' ' B' ' 96' ' ' ARG . 3.9 p-10 -174.01 -171.68 0.65 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 177.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 98' ' ' MET . . . . . . . . . . . . . 25.7 ttt 65.94 30.88 9.57 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.862 0.839 . . . . 0.0 110.178 -177.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 99' ' ' ALA . . . . . 0.448 ' HB1' ' OD1' ' A' ' 45' ' ' ASP . . . -93.43 174.14 7.35 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.225 179.066 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -73.52 -55.76 5.91 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.82 -178.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 25.8 p-80 -69.56 144.77 52.99 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.716 -175.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 102' ' ' ILE . . . . . 0.408 ' HA ' ' HD3' ' B' ' 103' ' ' PRO . 43.0 pt -113.55 152.1 45.09 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.253 -176.49 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 103' ' ' PRO . . . . . 0.426 ' HA ' ' HD3' ' B' ' 104' ' ' PRO . 7.8 Cg_exo -72.86 133.9 20.83 Favored 'Trans proline' 0 C--O 1.236 0.378 0 C-N-CA 123.215 2.61 . . . . 0.0 111.658 175.616 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 104' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' B' ' 103' ' ' PRO . 29.5 Cg_exo -61.43 133.07 43.98 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.826 2.351 . . . . 0.0 112.207 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 105' ' ' ALA . . . . . 0.476 ' HA ' ' HD3' ' B' ' 106' ' ' PRO . . . -105.99 128.4 26.47 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.755 -178.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 106' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' B' ' 105' ' ' ALA . 7.3 Cg_exo -73.98 131.8 16.05 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 123.168 2.579 . . . . 0.0 112.088 177.736 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -107.88 150.97 26.4 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.334 -178.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 16.7 m-90 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.666 -0.683 . . . . 0.0 110.287 -179.34 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.679 0 N-CA-C 112.008 -0.437 . . . . 0.0 112.008 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -87.25 66.23 9.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.084 0.469 . . . . 0.0 110.66 176.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 49.9 ttm -151.81 97.99 2.42 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.02 0.438 . . . . 0.0 111.536 -178.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 54.9 p -149.01 -32.77 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.022 173.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -122.18 63.21 0.53 Allowed Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.476 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -96.55 94.48 7.38 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.901 0.381 . . . . 0.0 111.357 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.461 ' HD2' ' CD ' ' A' ' 63' ' ' GLU . 48.6 mttp -69.67 -60.69 2.15 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 170.173 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.484 ' CD2' ' HA ' ' A' ' 11' ' ' HIS . 31.4 t-80 45.52 71.58 0.27 Allowed 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.133 -0.939 . . . . 0.0 113.134 159.61 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.7 m -108.65 -37.05 3.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.219 177.177 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.9 t -79.98 -7.32 58.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.07 0.462 . . . . 0.0 110.558 177.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.484 ' HA ' ' CD2' ' A' ' 8' ' ' HIS . 74.2 m80 67.95 8.68 6.64 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.509 -174.129 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.815 HG22 HD11 ' A' ' 62' ' ' LEU . 44.0 t 72.27 -35.52 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 123.862 0.865 . . . . 0.0 112.571 176.552 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.0 13.22 34.52 Favored Glycine 0 N--CA 1.447 -0.609 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 -176.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 69.2 t90 -95.77 125.54 40.41 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 120.958 0.409 . . . . 0.0 110.762 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -108.24 133.76 20.43 Favored Pre-proline 0 C--N 1.319 -0.719 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.354 174.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -55.31 -26.68 53.67 Favored 'Trans proline' 0 CA--C 1.529 0.243 0 C-N-CA 123.699 2.933 . . . . 0.0 113.85 -175.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -104.9 -36.26 7.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.755 0.312 . . . . 0.0 111.766 -179.051 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -99.39 -7.28 26.39 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -172.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.499 ' HA3' ' HA ' ' A' ' 44' ' ' THR . . . 79.94 -156.5 40.17 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.264 178.687 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.604 ' HB3' HD21 ' A' ' 25' ' ' LEU . 95.6 m-85 -77.54 124.81 28.4 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 178.509 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -65.52 100.7 0.52 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.269 0.557 . . . . 0.0 109.588 178.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.67 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 20.5 m -70.91 -4.8 4.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.953 -172.508 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -78.95 -40.93 30.54 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.025 0.44 . . . . 0.0 109.948 179.244 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -115.68 32.5 6.04 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.746 -177.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.67 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 29.4 mt -65.99 129.19 38.94 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.064 174.534 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.441 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 1.1 m-20 -63.59 134.51 95.9 Favored Pre-proline 0 C--N 1.322 -0.614 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 173.384 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.479 ' O ' ' HB2' ' A' ' 31' ' ' SER . 82.5 Cg_exo -48.1 -31.94 17.53 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 124.178 3.252 . . . . 0.0 113.574 -174.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -72.2 -51.85 19.24 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.956 178.45 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 96.5 mt -58.47 -45.3 88.92 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.809 0.338 . . . . 0.0 110.535 176.211 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -60.84 -44.95 96.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.626 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.479 ' HB2' ' O ' ' A' ' 27' ' ' PRO . 1.4 t -60.15 -46.73 88.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.25 178.22 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.582 HD21 HG23 ' B' ' 79' ' ' VAL . 1.3 tm? -66.51 -56.21 11.95 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.825 -175.024 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -58.31 -42.97 87.89 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.423 -175.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 70.7 m -70.6 -19.21 62.87 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.002 177.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 45.3 ttp180 -90.14 -9.27 48.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.467 0.651 . . . . 0.0 109.4 176.165 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.571 ' O ' ' HG2' ' B' ' 84' ' ' MET . . . -96.76 6.49 48.58 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.94 177.574 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.0 -7.82 80.09 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.62 176.155 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.634 HD13 ' CD1' ' A' ' 52' ' ' ILE . 6.2 mt -75.02 105.96 4.4 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 CA-C-O 120.864 0.364 . . . . 0.0 110.427 179.19 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.6 m -69.03 161.33 29.22 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.187 177.172 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -52.95 -45.92 67.92 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.95 0.405 . . . . 0.0 110.884 -175.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.06 -46.78 87.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.131 178.121 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.943 ' HG2' HG21 ' A' ' 48' ' ' THR . 36.6 tt0 -61.35 -33.29 73.39 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.578 0.704 . . . . 0.0 110.224 -179.234 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.487 ' HG ' ' HB2' ' A' ' 20' ' ' PHE . 19.0 tp -68.41 -19.39 64.6 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.711 -179.035 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.499 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 6.8 p -108.38 12.94 25.94 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.869 179.439 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -86.06 146.05 26.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.053 172.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.4 -69.54 0.16 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -169.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -66.2 -39.98 90.04 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 121.152 -0.219 . . . . 0.0 111.37 -173.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.943 HG21 ' HG2' ' A' ' 42' ' ' GLN . 24.7 m -52.1 -58.61 6.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.653 0.263 . . . . 0.0 111.459 177.224 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.513 ' HA ' HD12 ' A' ' 52' ' ' ILE . 79.8 p -64.61 -38.02 89.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.013 0.435 . . . . 0.0 110.998 -176.718 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -61.33 -38.12 85.77 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.09 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.957 HD12 HD11 ' B' ' 92' ' ' ILE . 68.4 mt -80.42 -26.96 38.16 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.274 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.634 ' CD1' HD13 ' A' ' 38' ' ' ILE . 81.6 mt -62.54 -45.19 99.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.049 0.452 . . . . 0.0 109.918 168.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.475 ' HE1' HG21 ' A' ' 12' ' ' VAL . 26.1 t80 -61.0 -40.9 95.3 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.85 178.581 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -60.27 -46.62 89.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.251 173.098 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 1.048 ' HE1' ' HG3' ' B' ' 82' ' ' ARG . 55.4 t80 -53.48 -49.42 67.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.261 -0.882 . . . . 0.0 111.532 176.602 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.709 HG21 HD23 ' A' ' 62' ' ' LEU . 99.3 mt -59.5 -40.64 82.4 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.884 0 CA-C-N 115.331 -0.849 . . . . 0.0 111.697 -175.21 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -67.08 -38.05 85.05 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 178.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -55.79 -39.85 71.84 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.277 0.56 . . . . 0.0 110.484 177.012 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.501 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 12.2 mm100 -80.16 -18.24 50.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.333 -176.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.11 4.38 12.44 Favored Glycine 0 CA--C 1.52 0.387 0 C-N-CA 120.719 -0.753 . . . . 0.0 113.357 179.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 111.47 178.28 20.24 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.285 179.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.815 HD11 HG22 ' A' ' 12' ' ' VAL . 80.3 mt -59.13 -41.21 87.69 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.234 0.54 . . . . 0.0 110.863 -176.586 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.467 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 32.3 mp0 -64.02 -29.23 70.4 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.554 -176.255 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.54 -47.11 43.41 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.381 -177.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.771 ' HB ' HG11 ' B' ' 79' ' ' VAL . 1.5 m -66.95 -25.89 35.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-O 121.113 0.482 . . . . 0.0 110.267 -176.33 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -62.27 -36.73 82.99 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.099 173.434 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' A' ' 63' ' ' GLU . 87.0 mt-30 -74.75 -41.0 60.92 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.915 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.91 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 1.9 mm-40 -57.07 -28.12 62.31 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.576 -175.262 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 31.7 mtt -54.39 -36.34 63.81 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.228 0.537 . . . . 0.0 110.905 175.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 -122.22 27.36 8.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.218 178.27 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.91 ' HB3' ' HA ' ' A' ' 68' ' ' GLU . 6.6 ttt180 -120.65 -58.72 1.81 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.681 -178.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.683 ' HB2' ' HA ' ' B' ' 78' ' ' ASP . 75.5 mt-30 . . . . . 0 C--O 1.25 1.118 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.8 174.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.715 0 N-CA-C 111.741 -0.544 . . . . 0.0 111.741 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 61.54 44.47 9.16 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.41 0.624 . . . . 0.0 110.059 175.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' MET . . . . . . . . . . . . . 26.1 ptt? -60.84 -30.82 70.33 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.903 178.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' LEU . . . . . 0.81 ' H ' ' HG3' ' B' ' 81' ' ' GLN . 8.2 tp -93.22 134.36 27.15 Favored Pre-proline 0 C--N 1.316 -0.875 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 172.49 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 77' ' ' PRO . . . . . 0.597 ' O ' ' HB3' ' A' ' 72' ' ' GLN . 73.2 Cg_endo -73.71 -28.26 11.83 Favored 'Trans proline' 0 N--CA 1.462 -0.351 0 C-N-CA 122.628 2.219 . . . . 0.0 114.288 -163.468 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 78' ' ' ASP . . . . . 0.683 ' HA ' ' HB2' ' A' ' 72' ' ' GLN . 7.1 p-10 -102.68 -166.92 1.33 Allowed 'General case' 0 C--N 1.312 -1.043 0 CA-C-O 121.445 0.64 . . . . 0.0 112.578 -169.407 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.771 HG11 ' HB ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -44.95 -36.12 1.42 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.333 0 CA-C-N 114.426 -1.261 . . . . 0.0 112.416 175.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.589 ' HB3' HD23 ' B' ' 76' ' ' LEU . . . -47.92 -62.35 1.51 Allowed 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 -175.598 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 81' ' ' GLN . . . . . 0.81 ' HG3' ' H ' ' B' ' 76' ' ' LEU . 0.0 OUTLIER -72.1 -33.69 68.05 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 121.886 -0.509 . . . . 0.0 110.889 -179.31 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 82' ' ' ARG . . . . . 1.048 ' HG3' ' HE1' ' A' ' 55' ' ' PHE . 18.7 tpt180 -58.32 -33.39 69.45 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.581 0.705 . . . . 0.0 110.119 177.433 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 0.521 HD13 ' CG ' ' A' ' 55' ' ' PHE . 32.0 tp -82.5 -44.37 16.05 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.049 179.71 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 84' ' ' MET . . . . . 0.586 ' HG3' ' O ' ' B' ' 80' ' ' ALA . 67.6 mtt -46.88 -53.6 11.79 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 121.257 0.551 . . . . 0.0 111.241 -179.373 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -71.87 -26.91 62.54 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.829 -175.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 86' ' ' HIS . . . . . 0.407 ' HA ' ' HG2' ' B' ' 89' ' ' GLU . 74.1 t60 -68.9 -18.12 64.07 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.326 -178.416 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.885 HD12 HG13 ' B' ' 92' ' ' ILE . 1.7 mm? -84.29 -46.5 11.73 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.218 0.532 . . . . 0.0 109.868 171.38 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.07 -16.83 63.19 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.512 -0.767 . . . . 0.0 112.326 -174.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.426 ' HG3' ' ND1' ' B' ' 90' ' ' HIS . 8.2 pt-20 -78.42 -5.87 53.63 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.666 0.247 . . . . 0.0 111.666 179.175 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 90' ' ' HIS . . . . . 0.426 ' ND1' ' HG3' ' B' ' 89' ' ' GLU . 72.6 m80 -117.13 -73.48 0.64 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -177.149 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 161.18 66.12 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 -173.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 92' ' ' ILE . . . . . 0.957 HD11 HD12 ' A' ' 51' ' ' LEU . 19.6 mm -107.89 142.15 21.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.195 -0.503 . . . . 0.0 111.654 -173.357 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 22.6 mp0 -95.63 127.93 39.82 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.491 176.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 94' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -66.29 167.72 17.79 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.955 2.436 . . . . 0.0 111.455 172.321 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 95' ' ' ALA . . . . . 0.45 ' HB2' ' HB2' ' A' ' 42' ' ' GLN . . . -70.09 81.74 0.5 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.329 0.585 . . . . 0.0 110.786 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 2.5 tpm_? -64.34 112.49 3.1 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.287 -0.869 . . . . 0.0 111.342 -177.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 15.8 p30 -77.42 45.46 0.47 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.242 177.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 98' ' ' MET . . . . . . . . . . . . . 58.5 ttp -150.96 -46.47 0.12 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.717 0.77 . . . . 0.0 109.008 -179.07 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -95.85 55.65 1.63 Allowed 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 114.763 -1.108 . . . . 0.0 109.15 172.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -71.36 114.13 9.11 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.212 -173.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 7.4 p80 -81.22 102.09 10.12 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.321 172.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 41.3 pt -77.05 136.98 65.61 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.776 -173.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -72.77 145.35 40.85 Favored 'Trans proline' 0 N--CA 1.459 -0.523 0 C-N-CA 122.704 2.269 . . . . 0.0 110.655 171.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 104' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -55.25 114.33 1.82 Allowed 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.619 2.213 . . . . 0.0 112.145 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -75.07 125.64 88.99 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.71 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 106' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -88.87 123.86 1.47 Allowed 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 122.886 2.391 . . . . 0.0 112.173 178.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -75.38 104.25 5.87 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.263 177.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 70.1 t-105 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.413 -0.803 . . . . 0.0 109.74 -177.944 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.916 0 N-CA-C 112.12 -0.392 . . . . 0.0 112.12 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 24.3 m80 -96.49 -55.77 2.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.885 0.374 . . . . 0.0 110.91 177.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.3 mmt -100.95 143.49 31.03 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.202 0.525 . . . . 0.0 111.662 -174.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.9 t -138.36 81.48 1.86 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.489 -0.778 . . . . 0.0 108.967 173.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -105.43 -174.41 24.11 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.318 -177.368 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -100.91 97.22 7.84 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.089 0.471 . . . . 0.0 110.373 -178.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -89.12 61.7 5.92 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.653 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.691 ' H ' HD12 ' A' ' 62' ' ' LEU . 30.2 p-80 41.94 59.84 2.43 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.078 -178.544 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.5 m -85.92 14.65 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 O-C-N 122.051 -0.406 . . . . 0.0 110.612 -176.014 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.766 ' HA ' ' OH ' ' A' ' 53' ' ' TYR . 51.8 p 64.81 -42.03 0.3 Allowed 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.196 1.399 . . . . 0.0 111.556 -173.681 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 22.6 t-80 -83.71 55.5 3.26 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 171.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.598 HG11 HD21 ' A' ' 62' ' ' LEU . 17.4 t -70.55 61.51 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-N 114.65 -1.159 . . . . 0.0 111.898 -176.728 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 64.0 10.78 41.64 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 121.047 -0.597 . . . . 0.0 112.055 -178.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.478 ' CZ2' ' HA ' ' A' ' 16' ' ' PRO . 70.4 t90 -102.89 132.56 49.02 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.876 0.369 . . . . 0.0 111.087 -177.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.707 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . 1.6 t70 -112.48 135.29 21.47 Favored Pre-proline 0 C--N 1.324 -0.536 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 174.334 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.478 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 84.2 Cg_exo -45.27 -57.74 1.96 Allowed 'Trans proline' 0 CA--C 1.533 0.452 0 C-N-CA 123.853 3.035 . . . . 0.0 114.326 -172.484 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -92.49 -24.01 18.93 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.625 -174.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.707 ' HB3' ' HB3' ' A' ' 15' ' ' ASP . 54.2 t30 -89.93 -31.84 17.09 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.527 -172.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.55 -164.03 18.84 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.989 -0.624 . . . . 0.0 111.891 -179.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.478 ' HB3' HD21 ' A' ' 25' ' ' LEU . 35.5 m-85 -75.68 134.22 40.61 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 177.215 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.418 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 11.8 t0 -78.18 113.92 16.59 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 175.706 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.629 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 4.5 m -69.43 -9.74 12.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.771 -177.751 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -82.46 -46.67 13.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.281 174.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -102.65 42.09 1.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.279 178.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.629 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 15.3 mt -76.0 125.13 28.54 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.309 174.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.584 ' HB3' HD22 ' A' ' 29' ' ' LEU . 7.3 t70 -55.68 132.6 72.01 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.875 175.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 26' ' ' ASP . 73.5 Cg_exo -49.47 -34.31 32.85 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 124.074 3.183 . . . . 0.0 113.978 -175.709 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -86.36 -39.59 16.28 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 -177.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.762 HD11 HD22 ' A' ' 62' ' ' LEU . 7.9 mp -53.72 -49.39 68.22 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 120.919 0.39 . . . . 0.0 110.689 169.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -53.32 -43.78 67.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.125 179.345 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.8 t -64.23 -49.87 70.24 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.449 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.1 tp -63.86 -51.52 64.23 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.134 -175.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.574 ' HB3' ' HB ' ' A' ' 38' ' ' ILE . 14.3 m-30 -61.05 -30.71 70.49 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.304 -173.478 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.3 t -63.16 -42.22 99.39 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 121.095 0.474 . . . . 0.0 110.031 175.044 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 47.9 mtt180 -65.8 -39.56 91.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.925 176.052 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.47 -10.56 59.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.254 -0.884 . . . . 0.0 111.669 -175.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.91 -10.9 66.2 Favored Glycine 0 C--N 1.33 0.241 0 C-N-CA 121.048 -0.596 . . . . 0.0 112.513 176.323 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.842 HD13 HD13 ' A' ' 52' ' ' ILE . 6.9 mt -66.53 106.76 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 120.864 0.364 . . . . 0.0 110.972 -178.646 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.9 m -91.49 178.68 5.88 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.95 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.494 ' HG3' HG11 ' A' ' 22' ' ' VAL . 33.8 tt0 -46.41 -53.48 10.95 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 123.432 0.458 . . . . 0.0 111.917 -179.018 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.483 ' HB3' ' HB1' ' B' ' 95' ' ' ALA . . . -60.71 -40.73 93.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.116 -177.505 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 1.045 ' HG2' HG21 ' A' ' 48' ' ' THR . 33.8 tt0 -72.14 -32.53 67.0 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.916 0.389 . . . . 0.0 110.491 -176.147 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.663 ' HG ' HG22 ' A' ' 38' ' ' ILE . 34.5 mt -71.34 -24.93 62.2 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.544 174.77 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.1 p -100.39 19.32 16.93 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.739 0.78 . . . . 0.0 110.136 179.311 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.613 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 29.8 t70 -86.31 155.09 20.79 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.898 173.461 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.31 -60.27 2.32 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -176.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -78.94 -37.21 40.25 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.427 -173.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . 1.045 HG21 ' HG2' ' A' ' 42' ' ' GLN . 35.0 m -55.58 -58.96 5.62 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.715 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 82.1 p -60.82 -42.42 97.65 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.847 0.356 . . . . 0.0 111.589 -174.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.12 -37.93 78.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.682 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.83 HD12 HD11 ' B' ' 92' ' ' ILE . 93.8 mt -88.64 -21.57 23.9 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.798 -178.112 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.842 HD13 HD13 ' A' ' 38' ' ' ILE . 60.7 mt -62.87 -47.28 93.58 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.324 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 167.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.766 ' OH ' ' HA ' ' A' ' 10' ' ' SER . 59.3 t80 -66.89 -35.98 81.24 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.935 177.128 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.626 ' HB3' ' HA ' ' A' ' 51' ' ' LEU . 30.9 t70 -59.64 -32.97 70.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.488 0.661 . . . . 0.0 109.988 174.499 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.693 ' CZ ' HG12 ' B' ' 79' ' ' VAL . 26.2 t80 -69.48 -44.95 70.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.723 175.548 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.668 HG21 HD23 ' A' ' 62' ' ' LEU . 98.8 mt -63.34 -41.62 93.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.144 178.395 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -63.9 -41.02 97.81 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.889 174.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.494 ' HB3' ' O ' ' A' ' 55' ' ' PHE . 30.1 t70 -51.55 -37.1 47.97 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.852 173.688 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 14.0 mm100 -72.39 -27.67 62.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.305 0.574 . . . . 0.0 110.606 176.698 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.73 -5.25 12.83 Favored Glycine 0 N--CA 1.446 -0.648 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.627 -176.095 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 131.89 -175.71 19.61 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.312 178.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.762 HD22 HD11 ' A' ' 29' ' ' LEU . 82.7 mt -60.07 -46.14 90.57 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 122.612 0.365 . . . . 0.0 111.727 -175.139 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.17 -31.98 70.63 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.631 -178.268 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.13 -40.53 78.23 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.932 0.396 . . . . 0.0 110.472 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.641 HG13 HG11 ' B' ' 79' ' ' VAL . 81.4 t -62.71 -37.37 78.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.437 0.637 . . . . 0.0 110.341 177.2 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 43.2 mtt85 -63.37 -28.38 69.95 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.906 177.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -80.0 -37.87 33.28 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.53 176.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.762 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 5.4 mm-40 -55.32 -39.22 69.7 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 120.816 0.341 . . . . 0.0 111.626 175.556 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 38.7 mtt -52.68 -24.46 8.6 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.338 174.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.2 mtp180 -116.03 2.87 13.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.634 178.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.762 ' HB3' ' HA ' ' A' ' 68' ' ' GLU . 62.7 ttt-85 -104.78 -104.74 0.31 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.324 -174.398 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.559 ' HB2' ' O ' ' A' ' 71' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.246 0.876 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 -176.352 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.718 0 N-CA-C 111.585 -0.606 . . . . 0.0 111.585 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 74' ' ' HIS . . . . . 0.47 ' HA ' ' SD ' ' B' ' 84' ' ' MET . 44.9 t-80 -83.03 73.35 10.05 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.243 0.544 . . . . 0.0 110.861 -179.13 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 75' ' ' MET . . . . . . . . . . . . . 44.8 ttm -155.98 72.4 0.77 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.902 176.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' LEU . . . . . 0.629 ' HG ' ' HB3' ' B' ' 80' ' ' ALA . 3.5 mm? -120.74 151.03 53.89 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.049 -179.393 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 77' ' ' PRO . . . . . 0.52 ' O ' ' HA ' ' A' ' 72' ' ' GLN . 56.2 Cg_endo -94.46 32.21 0.21 Allowed 'Trans proline' 0 N--CA 1.456 -0.711 0 C-N-CA 123.01 2.474 . . . . 0.0 112.585 179.063 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -164.31 -166.85 1.18 Allowed 'General case' 0 C--O 1.238 0.449 0 CA-C-O 120.803 0.335 . . . . 0.0 111.706 -176.044 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.693 HG12 ' CZ ' ' A' ' 55' ' ' PHE . 0.0 OUTLIER -35.11 -41.72 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 124.616 1.167 . . . . 0.0 114.065 175.433 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.629 ' HB3' ' HG ' ' B' ' 76' ' ' LEU . . . -53.76 -51.77 62.32 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -171.31 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 81' ' ' GLN . . . . . 0.507 ' HB3' ' H ' ' B' ' 76' ' ' LEU . 14.6 pt20 -69.85 -27.99 65.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.733 0.778 . . . . 0.0 109.645 -178.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 82' ' ' ARG . . . . . 0.689 ' HG2' ' HE1' ' A' ' 55' ' ' PHE . 66.8 ttt180 -76.75 -17.19 59.21 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 114.672 -1.149 . . . . 0.0 109.744 -176.666 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 0.696 HD13 HD11 ' A' ' 38' ' ' ILE . 0.5 OUTLIER -79.78 -43.46 22.44 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.225 -179.682 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 84' ' ' MET . . . . . 0.47 ' SD ' ' HA ' ' B' ' 74' ' ' HIS . 47.9 mtt -59.55 -42.13 91.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.019 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 85' ' ' GLN . . . . . 0.607 ' O ' ' HG2' ' B' ' 89' ' ' GLU . 15.9 mm100 -62.72 -51.85 65.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.895 177.282 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 86' ' ' HIS . . . . . 0.504 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 58.1 t60 -59.27 -32.42 70.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.29 -175.264 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.846 HD22 HG12 ' B' ' 92' ' ' ILE . 88.9 mt -80.5 -47.47 14.22 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.943 0.401 . . . . 0.0 110.756 178.443 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.24 -31.88 65.99 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.121 -179.078 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.607 ' HG2' ' O ' ' B' ' 85' ' ' GLN . 19.9 mm-40 -60.3 -26.94 66.91 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 179.012 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 78.6 m80 -102.42 -33.37 9.57 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.764 -0.374 . . . . 0.0 111.558 -176.281 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 117.78 25.52 3.06 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.334 -0.936 . . . . 0.0 112.908 178.416 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 92' ' ' ILE . . . . . 0.846 HG12 HD22 ' B' ' 87' ' ' LEU . 1.6 mp -49.36 141.13 2.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 121.166 0.508 . . . . 0.0 111.666 176.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 93' ' ' GLN . . . . . 0.503 ' HB3' ' HB3' ' B' ' 97' ' ' ASN . 31.3 mm-40 -102.94 122.75 44.53 Favored Pre-proline 0 N--CA 1.445 -0.676 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.944 178.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 94' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' B' ' 93' ' ' GLN . 45.6 Cg_exo -57.95 172.26 1.28 Allowed 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 123.037 2.491 . . . . 0.0 112.234 178.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 95' ' ' ALA . . . . . 0.638 ' HB2' ' HB2' ' A' ' 42' ' ' GLN . . . -69.72 28.65 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -168.005 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 96' ' ' ARG . . . . . 0.419 ' HD3' ' HA ' ' B' ' 96' ' ' ARG . 26.4 mmt180 -139.11 39.11 2.12 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.108 0.48 . . . . 0.0 110.245 176.35 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 97' ' ' ASN . . . . . 0.503 ' HB3' ' HB3' ' B' ' 93' ' ' GLN . 24.1 p-10 -100.45 132.23 45.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.37 0.605 . . . . 0.0 111.093 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 98' ' ' MET . . . . . . . . . . . . . 24.9 ptt? -100.0 19.77 15.65 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.567 -178.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.83 -21.24 66.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.034 179.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 100' ' ' GLU . . . . . 0.402 ' O ' ' HB2' ' B' ' 101' ' ' HIS . 23.7 tt0 -173.37 -130.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 -179.311 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 101' ' ' HIS . . . . . 0.411 ' HE1' ' O ' ' A' ' 41' ' ' ALA . 30.5 m-70 73.87 144.51 0.07 Allowed 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.125 0.57 . . . . 0.0 112.124 174.313 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 102' ' ' ILE . . . . . 0.444 ' HA ' ' HD3' ' B' ' 103' ' ' PRO . 56.6 mt -92.26 116.42 66.45 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.564 -0.743 . . . . 0.0 111.215 -176.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 103' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' B' ' 102' ' ' ILE . 5.9 Cg_exo -75.16 153.79 41.28 Favored 'Trans proline' 0 N--CA 1.463 -0.289 0 C-N-CA 123.32 2.68 . . . . 0.0 111.439 175.239 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 104' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -55.7 113.98 1.68 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.818 2.345 . . . . 0.0 111.994 178.133 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.12 126.04 82.49 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.053 -177.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 106' ' ' PRO . . . . . 0.477 ' HA ' ' CZ3' ' B' ' 108' ' ' TRP . 74.6 Cg_endo -78.57 66.98 8.49 Favored 'Trans proline' 0 N--CA 1.463 -0.271 0 C-N-CA 122.907 2.405 . . . . 0.0 112.959 -176.506 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -115.33 54.92 0.78 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.145 0.497 . . . . 0.0 110.249 178.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 108' ' ' TRP . . . . . 0.477 ' CZ3' ' HA ' ' B' ' 106' ' ' PRO . 6.5 m-90 . . . . . 0 C--O 1.247 0.959 0 CA-C-O 118.576 -0.726 . . . . 0.0 109.877 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.685 0 N-CA-C 111.758 -0.537 . . . . 0.0 111.758 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 16.4 m80 -131.56 51.24 2.16 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.832 0.349 . . . . 0.0 110.899 177.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.734 ' HG3' ' HE2' ' A' ' 6' ' ' PHE . 1.5 mpt? 59.11 50.62 7.88 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.157 174.394 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.5 m -105.34 -28.61 10.79 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.343 -175.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -131.02 63.68 0.63 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.345 -0.931 . . . . 0.0 112.953 -176.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.734 ' HE2' ' HG3' ' A' ' 3' ' ' MET . 9.0 m-85 -106.89 69.32 0.76 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.156 0.503 . . . . 0.0 111.697 179.385 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -72.44 -35.09 68.22 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 171.182 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -127.88 146.06 50.75 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.016 -0.993 . . . . 0.0 108.891 173.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.444 ' C ' ' H ' ' A' ' 11' ' ' HIS . 8.4 p -164.28 18.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 122.127 0.965 . . . . 0.0 108.878 -172.683 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.3 m -77.16 21.68 0.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.744 -1.116 . . . . 0.0 110.961 -176.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.444 ' H ' ' C ' ' A' ' 9' ' ' VAL . 52.3 m80 58.37 13.94 2.68 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.892 -176.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.651 HG11 HD11 ' A' ' 62' ' ' LEU . 20.9 m 43.88 25.1 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 124.613 1.165 . . . . 0.0 114.065 179.542 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 67.6 25.21 73.97 Favored Glycine 0 C--N 1.333 0.401 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.465 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 76.6 t90 -92.42 134.16 35.2 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.241 0.544 . . . . 0.0 111.116 -177.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -113.89 135.12 22.02 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 174.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_endo -57.1 -25.0 61.37 Favored 'Trans proline' 0 N--CA 1.474 0.378 0 C-N-CA 123.516 2.81 . . . . 0.0 113.99 -175.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -104.46 -49.26 3.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.886 0.374 . . . . 0.0 111.504 -178.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.569 ' O ' ' HA ' ' A' ' 44' ' ' THR . 9.2 m120 -88.77 -5.92 57.75 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -173.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 78.88 -146.01 29.19 Favored Glycine 0 N--CA 1.443 -0.883 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.908 175.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.655 ' HB3' HD21 ' A' ' 25' ' ' LEU . 93.1 m-85 -80.86 125.3 29.94 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 -178.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -67.44 102.48 1.13 Allowed 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 176.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.625 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 16.9 m -63.55 -27.78 43.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -171.324 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -91.31 -5.55 54.47 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.77 -179.317 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -120.41 21.78 11.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.106 174.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.655 HD21 ' HB3' ' A' ' 20' ' ' PHE . 16.0 mt -70.03 138.8 52.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.594 -178.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.436 ' HB3' ' HG ' ' A' ' 29' ' ' LEU . 5.7 t70 -63.82 139.22 97.59 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.668 172.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -42.2 -49.88 5.73 Favored 'Trans proline' 0 C--O 1.237 0.43 0 C-N-CA 123.156 2.571 . . . . 0.0 113.621 -177.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -68.76 -39.63 80.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.701 -0.227 . . . . 0.0 110.562 -178.035 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.441 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 85.8 mt -62.49 -45.22 93.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.894 0.378 . . . . 0.0 110.164 177.179 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.1 tpt180 -57.26 -39.65 76.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.238 178.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.9 t -73.51 -48.18 35.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.517 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.533 HD13 HG23 ' B' ' 79' ' ' VAL . 47.0 tp -60.71 -56.98 14.77 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 112.751 0.648 . . . . 0.0 112.751 -173.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.441 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 13.7 m-30 -59.62 -34.47 72.81 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.334 -171.318 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.7 m -64.5 -41.93 96.14 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.92 174.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 33.8 mtp85 -64.8 -39.36 93.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.016 177.103 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.39 -13.81 62.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.854 -176.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.59 -15.07 58.9 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.63 -0.795 . . . . 0.0 111.602 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.568 HD13 ' CD1' ' A' ' 52' ' ' ILE . 12.4 mt -64.63 106.68 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 CA-C-O 120.989 0.423 . . . . 0.0 110.179 177.784 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.1 m -78.03 169.86 17.57 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.321 178.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -64.71 -26.44 68.37 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.849 0.357 . . . . 0.0 111.161 -175.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.62 -44.64 89.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.58 0.705 . . . . 0.0 110.023 172.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.583 ' HB3' HG21 ' A' ' 48' ' ' THR . 53.6 mt-30 -68.73 -27.92 66.36 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.762 178.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.439 HD13 HD11 ' A' ' 25' ' ' LEU . 51.5 mt -76.56 -13.98 60.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.918 176.105 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.569 ' HA ' ' O ' ' A' ' 18' ' ' ASN . 7.1 p -108.19 18.55 20.98 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.689 0.757 . . . . 0.0 109.674 173.745 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.577 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 27.0 t70 -90.58 157.09 17.69 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 114.796 -1.093 . . . . 0.0 110.346 175.145 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.28 -68.99 0.53 Allowed 'General case' 0 C--O 1.237 0.436 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 -177.446 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -67.15 -38.9 86.3 Favored 'General case' 0 CA--C 1.519 -0.247 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.395 -175.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.665 ' O ' HG13 ' A' ' 52' ' ' ILE . 25.7 m -56.27 -60.27 3.75 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.178 -0.209 . . . . 0.0 111.325 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.2 m -62.56 -39.57 94.07 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -175.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -61.56 -39.57 91.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.088 0.47 . . . . 0.0 110.324 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.611 ' HA ' ' HB3' ' A' ' 54' ' ' ASP . 36.6 mt -83.41 -19.91 35.14 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.844 -177.235 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.665 HG13 ' O ' ' A' ' 48' ' ' THR . 61.4 mt -66.11 -42.5 91.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 166.353 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -65.21 -39.91 93.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.401 0.619 . . . . 0.0 109.525 176.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.611 ' HB3' ' HA ' ' A' ' 51' ' ' LEU . 18.9 t70 -61.85 -35.7 79.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.74 173.672 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.592 ' CZ ' HG12 ' B' ' 79' ' ' VAL . 33.6 t80 -63.94 -46.19 85.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.003 176.526 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.595 HG21 HD13 ' A' ' 62' ' ' LEU . 98.5 mt -61.15 -43.95 97.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.353 179.026 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -60.53 -44.4 96.12 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.758 172.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -54.81 -37.17 65.78 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.605 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 67.0 mm-40 -76.77 -17.72 58.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.624 179.141 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.12 3.62 13.01 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.491 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 122.89 -175.05 16.51 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.3 177.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.651 HD11 HG11 ' A' ' 12' ' ' VAL . 4.0 mm? -64.23 -38.58 91.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.962 0.41 . . . . 0.0 111.662 -175.193 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.551 ' O ' ' HG2' ' A' ' 67' ' ' GLN . 28.5 mm-40 -65.7 -35.01 79.55 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.412 -174.283 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.74 -39.31 93.41 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.319 0.581 . . . . 0.0 110.221 178.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.633 HG13 HG11 ' B' ' 79' ' ' VAL . 76.2 t -65.35 -44.47 94.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.305 -0.862 . . . . 0.0 110.507 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.437 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 91.0 mtt-85 -61.62 -30.9 71.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.838 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.551 ' HG2' ' O ' ' A' ' 63' ' ' GLU . 79.7 mm-40 -79.29 -43.59 23.34 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.168 -177.213 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.493 ' OE2' HG13 ' B' ' 79' ' ' VAL . 8.7 mt-10 -50.19 -36.41 30.43 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 123.022 0.202 . . . . 0.0 111.344 -179.407 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 32.1 mtt -52.37 -40.65 62.28 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.682 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -108.63 7.06 26.41 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.258 -176.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.466 ' HB3' ' HA ' ' A' ' 68' ' ' GLU . 9.0 tmm_? -114.05 -52.63 2.72 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -171.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.411 ' HB3' ' O ' ' A' ' 71' ' ' ARG . 21.2 tt0 . . . . . 0 C--O 1.246 0.903 0 O-C-N 124.235 0.96 . . . . 0.0 109.867 -173.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.732 0 N-CA-C 111.85 -0.5 . . . . 0.0 111.85 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -135.05 133.97 39.9 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.791 0.329 . . . . 0.0 110.267 -179.362 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 75' ' ' MET . . . . . . . . . . . . . 48.5 ttm -155.59 76.09 0.94 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.223 0.535 . . . . 0.0 109.893 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' LEU . . . . . 0.803 ' HB2' ' HB3' ' B' ' 81' ' ' GLN . 78.8 mt -123.14 138.45 29.87 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.085 -179.429 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -81.41 34.47 0.55 Allowed 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 122.746 2.297 . . . . 0.0 113.295 -171.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -165.33 -168.66 1.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.146 0.498 . . . . 0.0 111.929 -177.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.633 HG11 HG13 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -44.92 -37.67 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 114.475 -1.238 . . . . 0.0 112.693 174.455 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -49.97 -49.95 48.54 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -170.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 81' ' ' GLN . . . . . 0.803 ' HB3' ' HB2' ' B' ' 76' ' ' LEU . 20.0 pt20 -72.0 -33.23 67.93 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 121.342 0.592 . . . . 0.0 110.172 -177.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 82' ' ' ARG . . . . . 0.592 ' HG3' ' HE1' ' A' ' 55' ' ' PHE . 8.5 tpt180 -69.47 -21.08 63.73 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.086 -178.109 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 0.518 ' HG ' ' CE2' ' A' ' 55' ' ' PHE . 1.7 mt -74.35 -43.35 56.98 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.171 179.46 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 55.2 mtt -51.43 -45.07 62.51 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.531 -179.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 85' ' ' GLN . . . . . 0.407 ' O ' ' HG2' ' B' ' 89' ' ' GLU . 85.3 mm-40 -71.18 -39.54 71.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.31 -178.769 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 86' ' ' HIS . . . . . 0.492 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 39.8 t60 -66.58 -32.34 73.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 -174.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.466 HD22 ' O ' ' B' ' 83' ' ' LEU . 0.3 OUTLIER -78.54 -39.29 38.3 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.926 0.394 . . . . 0.0 110.367 174.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.65 -34.26 69.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.632 -178.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' B' ' 85' ' ' GLN . 31.7 mm-40 -61.2 -23.3 65.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.541 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -117.35 8.25 13.05 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -173.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 70.46 30.79 68.69 Favored Glycine 0 CA--C 1.521 0.446 0 C-N-CA 120.646 -0.788 . . . . 0.0 113.663 175.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 92' ' ' ILE . . . . . 0.539 HD11 HD12 ' A' ' 51' ' ' LEU . 1.5 mp -48.07 149.32 0.54 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 123.404 0.682 . . . . 0.0 112.203 174.565 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 93' ' ' GLN . . . . . 0.5 ' HB3' ' HB3' ' B' ' 97' ' ' ASN . 25.8 mp0 -85.1 129.93 54.1 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.858 178.619 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 94' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' B' ' 93' ' ' GLN . 24.0 Cg_exo -64.86 174.46 4.64 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 123.476 2.784 . . . . 0.0 111.236 173.01 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.25 66.66 0.3 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.43 0.633 . . . . 0.0 112.248 -177.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 96' ' ' ARG . . . . . 0.423 ' HD2' ' HA ' ' B' ' 96' ' ' ARG . 9.6 tpt180 -157.24 12.15 0.23 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.898 -1.046 . . . . 0.0 108.52 175.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 97' ' ' ASN . . . . . 0.5 ' HB3' ' HB3' ' B' ' 93' ' ' GLN . 11.9 p-10 -83.13 69.9 9.97 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.311 -1.313 . . . . 0.0 111.099 -175.538 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 98' ' ' MET . . . . . . . . . . . . . 26.4 ptm 43.91 85.64 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 121.714 0.768 . . . . 0.0 111.275 -176.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.14 -18.74 49.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.128 -0.942 . . . . 0.0 113.02 -171.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -52.31 -65.87 0.48 Allowed 'General case' 0 N--CA 1.464 0.245 0 O-C-N 123.168 0.293 . . . . 0.0 110.885 178.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 52.5 m170 52.73 52.73 13.41 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 177.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 14.2 tt -109.47 135.14 20.34 Favored Pre-proline 0 C--N 1.319 -0.742 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 173.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 103' ' ' PRO . . . . . 0.468 ' HA ' ' HD2' ' B' ' 104' ' ' PRO . 10.5 Cg_endo -54.25 120.8 8.58 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.917 2.411 . . . . 0.0 111.782 -179.191 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 104' ' ' PRO . . . . . 0.468 ' HD2' ' HA ' ' B' ' 103' ' ' PRO . 10.2 Cg_endo -51.12 113.18 0.99 Allowed 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 123.302 2.668 . . . . 0.0 112.059 -176.531 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 105' ' ' ALA . . . . . 0.412 ' HA ' ' HD3' ' B' ' 106' ' ' PRO . . . -84.71 132.96 44.87 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.28 -179.185 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 106' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' B' ' 105' ' ' ALA . 23.8 Cg_exo -65.02 -19.14 63.61 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 123.003 2.469 . . . . 0.0 111.566 177.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 73.43 -7.66 1.5 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.592 172.227 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 61.7 t90 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.878 -0.582 . . . . 0.0 109.834 -178.231 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.782 0 N-CA-C 112.198 -0.361 . . . . 0.0 112.198 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -88.0 63.2 7.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.064 0.459 . . . . 0.0 110.918 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 93.8 mmm -90.79 70.6 6.59 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.363 0.601 . . . . 0.0 110.017 178.15 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.5 p -88.17 88.72 7.73 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.708 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 129.51 -174.15 19.42 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.853 176.073 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -83.84 146.93 27.84 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.801 0.334 . . . . 0.0 110.713 178.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 46.4 tptt -82.49 90.0 6.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 112.062 -171.149 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.427 ' HB2' ' OE2' ' A' ' 63' ' ' GLU . 17.4 t-80 20.57 91.82 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.71 0 O-C-N 125.243 1.59 . . . . 0.0 114.849 166.788 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.9 p -163.77 -22.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.447 0.642 . . . . 0.0 109.849 174.462 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.1 -30.78 62.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.809 -1.087 . . . . 0.0 113.301 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 61.66 26.84 16.41 Favored 'General case' 0 N--CA 1.462 0.151 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -167.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.719 HG12 HD21 ' A' ' 62' ' ' LEU . 13.9 m 50.27 19.02 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 125.1 1.36 . . . . 0.0 114.093 177.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 65.58 23.7 70.62 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.481 -0.866 . . . . 0.0 111.788 -177.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.422 ' CD1' ' HA2' ' A' ' 19' ' ' GLY . 59.4 t90 -79.78 130.8 35.63 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.104 0.478 . . . . 0.0 110.782 -177.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -102.49 133.62 20.41 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.721 174.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -47.15 -32.08 13.13 Favored 'Trans proline' 0 CA--C 1.529 0.257 0 C-N-CA 124.293 3.329 . . . . 0.0 114.277 -177.068 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -105.18 -48.7 3.64 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -176.395 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.565 ' O ' ' HA ' ' A' ' 44' ' ' THR . 86.0 m-20 -96.69 -1.3 46.87 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -173.611 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.422 ' HA2' ' CD1' ' A' ' 14' ' ' TRP . . . 72.52 -133.31 19.39 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.856 -0.687 . . . . 0.0 114.107 172.732 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.52 ' HB2' ' HB3' ' A' ' 43' ' ' LEU . 93.7 m-85 -83.42 144.85 29.33 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.128 0.49 . . . . 0.0 111.559 -172.564 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.46 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 18.2 t70 -81.68 111.64 18.13 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.147 173.293 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.672 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 29.7 m -88.24 -14.48 9.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -169.373 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -87.8 -19.96 26.78 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.433 -0.507 . . . . 0.0 109.914 176.533 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -126.22 52.56 1.7 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.371 0.605 . . . . 0.0 110.233 174.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.672 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 9.8 mt -80.23 135.19 36.2 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.866 178.408 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.56 ' HB3' HD12 ' A' ' 29' ' ' LEU . 1.8 t70 -58.9 132.79 86.86 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.713 177.758 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo -43.21 -52.72 4.68 Favored 'Trans proline' 0 C--O 1.238 0.486 0 C-N-CA 123.25 2.633 . . . . 0.0 113.757 -175.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -69.17 -43.52 74.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.616 -176.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.56 HD12 ' HB3' ' A' ' 26' ' ' ASP . 92.5 mt -61.0 -41.8 97.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.792 0.33 . . . . 0.0 110.574 177.278 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -59.13 -43.97 92.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.43 178.333 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.509 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 5.2 t -62.37 -49.38 75.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.75 177.534 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.588 HD13 HG23 ' B' ' 79' ' ' VAL . 14.3 tp -58.87 -61.07 2.9 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.164 -0.926 . . . . 0.0 112.305 -176.256 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.456 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 11.6 m-30 -60.3 -33.09 71.87 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.846 -171.272 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.9 t -65.63 -42.23 91.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.754 176.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.509 ' HG3' ' O ' ' A' ' 31' ' ' SER . 84.0 mtt180 -64.15 -33.22 75.29 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.424 0.63 . . . . 0.0 110.04 177.56 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.87 -7.87 56.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.007 -0.997 . . . . 0.0 112.263 -173.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.18 2.46 83.3 Favored Glycine 0 CA--C 1.511 -0.177 0 C-N-CA 120.422 -0.894 . . . . 0.0 112.158 178.128 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.782 HD11 HD13 ' B' ' 83' ' ' LEU . 19.2 mt -71.17 108.82 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.656 0 CA-C-O 120.893 0.377 . . . . 0.0 110.319 176.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.9 t -62.31 155.35 25.2 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.224 177.079 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -57.24 -32.89 67.01 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 176.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.635 ' HA ' ' ND1' ' B' ' 101' ' ' HIS . . . -68.33 -18.74 64.57 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 121.406 0.622 . . . . 0.0 111.12 179.005 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.747 ' HB3' HG21 ' A' ' 48' ' ' THR . 52.3 mt-30 -88.92 -25.72 21.94 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.225 -177.196 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.52 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . 98.2 mt -77.41 -7.01 55.45 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.407 174.243 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.565 ' HA ' ' O ' ' A' ' 18' ' ' ASN . 25.6 p -110.45 1.95 18.61 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.417 173.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.576 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 28.7 t70 -77.16 153.27 34.34 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.097 176.474 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.7 -60.72 2.14 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 111.569 0.211 . . . . 0.0 111.569 -177.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -79.78 -39.18 31.45 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.339 -0.544 . . . . 0.0 110.832 -172.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.747 HG21 ' HB3' ' A' ' 42' ' ' GLN . 25.9 m -53.67 -51.55 62.82 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 120.775 0.322 . . . . 0.0 110.921 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.3 m -62.01 -40.24 94.98 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.133 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -65.5 -41.98 92.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.829 -178.479 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.451 HD13 ' HA ' ' A' ' 51' ' ' LEU . 1.2 mm? -69.9 -33.56 72.36 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 121.086 -0.246 . . . . 0.0 111.412 178.608 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.607 ' CD1' HD13 ' A' ' 38' ' ' ILE . 96.4 mt -63.84 -45.71 96.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.795 0.331 . . . . 0.0 110.743 172.558 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -62.43 -45.3 93.72 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 177.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -59.21 -36.85 76.12 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.387 174.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.685 ' HE1' ' HG2' ' B' ' 82' ' ' ARG . 37.6 t80 -58.82 -49.09 79.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.594 174.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 76.7 mt -64.17 -45.9 95.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.181 178.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -57.94 -41.28 82.46 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.331 175.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -59.4 -33.93 71.82 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.06 -178.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.561 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 55.1 mm-40 -76.3 -18.99 58.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.134 -178.111 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.71 -3.74 14.94 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.94 -0.647 . . . . 0.0 111.582 -175.177 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 127.8 -165.76 20.72 Favored Glycine 0 N--CA 1.443 -0.845 0 C-N-CA 121.07 -0.586 . . . . 0.0 112.335 176.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.719 HD21 HG12 ' A' ' 12' ' ' VAL . 8.8 mp -70.83 -41.57 71.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.171 0.51 . . . . 0.0 111.046 -172.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.56 ' CD ' ' H ' ' A' ' 63' ' ' GLU . 1.5 mp0 -56.96 -33.66 67.27 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.564 -178.669 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.0 -46.84 64.28 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.555 -176.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.789 ' HB ' HG11 ' B' ' 79' ' ' VAL . 3.8 m -68.15 -28.67 41.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.764 0.316 . . . . 0.0 110.906 -175.692 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.471 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 64.7 mtt-85 -70.68 -21.57 62.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.254 0.55 . . . . 0.0 109.8 178.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.467 ' O ' ' HG2' ' A' ' 70' ' ' ARG . 43.9 mt-30 -86.0 -29.31 23.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.333 178.421 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.822 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 3.0 mm-40 -59.61 -32.84 70.78 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.056 0.455 . . . . 0.0 110.51 175.226 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.568 ' HA ' ' HB2' ' B' ' 78' ' ' ASP . 38.1 mtt -54.46 -23.8 17.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.232 -0.894 . . . . 0.0 111.356 176.146 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.467 ' HG2' ' O ' ' A' ' 67' ' ' GLN . 11.2 ptm180 -127.38 19.53 6.85 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.751 179.368 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.822 ' HB3' ' HA ' ' A' ' 68' ' ' GLU . 42.4 ttt180 -112.92 -81.57 0.59 Allowed 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.442 -175.705 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.444 ' HG2' ' HG2' ' A' ' 71' ' ' ARG . 87.8 mm-40 . . . . . 0 C--O 1.253 1.272 0 CA-C-O 118.046 -0.978 . . . . 0.0 111.35 -176.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.769 0 N-CA-C 111.653 -0.579 . . . . 0.0 111.653 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -124.9 130.16 51.81 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 176.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' MET . . . . . 0.467 ' N ' ' HG3' ' B' ' 81' ' ' GLN . 2.0 mpt? -76.69 -12.28 59.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.623 178.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 76' ' ' LEU . . . . . 0.859 ' H ' ' HG3' ' B' ' 81' ' ' GLN . 76.0 mt -114.55 150.8 44.49 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.362 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -93.67 32.57 0.23 Allowed 'Trans proline' 0 N--CA 1.456 -0.684 0 C-N-CA 123.189 2.593 . . . . 0.0 113.769 -172.379 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 78' ' ' ASP . . . . . 0.568 ' HB2' ' HA ' ' A' ' 69' ' ' MET . 3.5 p30 -164.93 -168.38 1.43 Allowed 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.046 0.451 . . . . 0.0 111.819 176.328 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.789 HG11 ' HB ' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -47.79 -33.05 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-N 114.911 -1.041 . . . . 0.0 112.97 178.823 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -54.53 -45.51 73.4 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 -170.423 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 81' ' ' GLN . . . . . 0.859 ' HG3' ' H ' ' B' ' 76' ' ' LEU . 1.2 tm0? -67.66 -35.55 79.08 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.617 0.722 . . . . 0.0 109.962 179.039 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 82' ' ' ARG . . . . . 0.685 ' HG2' ' HE1' ' A' ' 55' ' ' PHE . 69.4 ttt180 -67.06 -26.01 66.53 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-N 114.805 -1.089 . . . . 0.0 110.174 -179.587 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 0.782 HD13 HD11 ' A' ' 38' ' ' ILE . 3.3 mt -69.53 -47.35 64.02 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.565 176.117 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 61.9 mtt -52.6 -43.45 65.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.513 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 85' ' ' GLN . . . . . 0.538 ' O ' ' HG3' ' B' ' 89' ' ' GLU . 13.4 mm-40 -64.15 -35.94 82.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.967 179.746 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 86' ' ' HIS . . . . . 0.563 ' HA ' ' OE2' ' B' ' 89' ' ' GLU . 36.4 t60 -77.0 -39.51 50.11 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.805 -172.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.565 HD22 ' O ' ' B' ' 83' ' ' LEU . 0.6 OUTLIER -68.89 -30.44 68.94 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 120.301 -0.56 . . . . 0.0 109.925 177.456 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.16 -22.94 63.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.213 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.563 ' OE2' ' HA ' ' B' ' 86' ' ' HIS . 43.7 mt-10 -70.03 -15.67 63.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.726 -179.574 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -123.49 -41.1 2.3 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -169.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 120.15 31.82 1.24 Allowed Glycine 0 CA--C 1.516 0.152 0 C-N-CA 119.988 -1.101 . . . . 0.0 113.114 178.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 92' ' ' ILE . . . . . 0.554 ' HB ' ' HB3' ' B' ' 87' ' ' LEU . 1.7 mp -51.85 143.07 3.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 C-N-CA 123.421 0.688 . . . . 0.0 112.25 178.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 93' ' ' GLN . . . . . 0.436 ' HA ' ' HD3' ' B' ' 94' ' ' PRO . 1.1 mp0 -84.23 115.9 62.38 Favored Pre-proline 0 C--O 1.232 0.183 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.74 -179.126 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 94' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' B' ' 93' ' ' GLN . 19.8 Cg_exo -69.41 111.17 2.66 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 123.175 2.583 . . . . 0.0 113.573 -178.399 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 95' ' ' ALA . . . . . 0.482 ' H ' ' CD ' ' A' ' 42' ' ' GLN . . . 50.94 16.91 0.38 Allowed 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 168.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 17.8 tpp180 -51.78 119.97 4.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.445 0.641 . . . . 0.0 111.28 173.244 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -86.03 74.13 10.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.781 -175.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 98' ' ' MET . . . . . . . . . . . . . 64.1 mtt -74.44 143.27 44.77 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.849 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . 58.61 27.28 15.53 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.045 176.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 48.07 65.51 1.29 Allowed 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.836 -175.115 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 101' ' ' HIS . . . . . 0.635 ' ND1' ' HA ' ' A' ' 41' ' ' ALA . 10.7 t-160 -77.58 59.92 2.04 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.539 0.685 . . . . 0.0 109.831 177.754 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 5.3 mp -138.2 124.76 13.07 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.327 -0.851 . . . . 0.0 108.816 177.159 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 103' ' ' PRO . . . . . 0.405 ' HA ' ' HD3' ' B' ' 104' ' ' PRO . 31.9 Cg_exo -59.3 116.83 3.55 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 122.274 1.982 . . . . 0.0 112.025 179.084 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 104' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' B' ' 103' ' ' PRO . 12.9 Cg_exo -70.79 129.61 16.78 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 123.107 2.538 . . . . 0.0 111.924 -179.57 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 105' ' ' ALA . . . . . 0.425 ' HA ' ' HD3' ' B' ' 106' ' ' PRO . . . -129.38 151.49 77.96 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.256 -177.504 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 106' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' B' ' 105' ' ' ALA . 7.4 Cg_exo -74.65 19.59 0.46 Allowed 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 123.161 2.574 . . . . 0.0 112.456 178.195 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -119.35 139.2 52.35 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.057 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 9.2 m-90 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.373 -0.822 . . . . 0.0 109.982 -177.486 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.748 0 N-CA-C 111.977 -0.449 . . . . 0.0 111.977 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 40.3 t-80 -77.31 -41.08 42.04 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 -179.144 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 51.2 ttm 64.02 93.57 0.06 Allowed 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.367 0.603 . . . . 0.0 111.595 176.366 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 66.3 m -154.27 85.58 1.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.771 176.069 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -106.19 176.2 21.7 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.222 -177.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -80.4 52.85 1.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.557 0.694 . . . . 0.0 110.459 -177.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -94.03 -46.66 7.04 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 174.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.55 ' HB3' ' HA3' ' A' ' 61' ' ' GLY . 11.5 p-80 -78.68 139.53 38.48 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.106 174.598 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.469 ' O ' HG12 ' A' ' 9' ' ' VAL . 21.9 t 69.03 30.42 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-O 122.554 1.168 . . . . 0.0 108.945 179.222 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.422 ' O ' ' HB2' ' A' ' 11' ' ' HIS . 9.1 t -104.41 22.99 13.91 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.602 -1.181 . . . . 0.0 109.012 177.058 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.422 ' HB2' ' O ' ' A' ' 10' ' ' SER . 48.0 m80 71.21 -14.47 0.46 Allowed 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.639 -175.106 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.854 HG22 HD11 ' A' ' 62' ' ' LEU . 22.0 t 62.18 -68.91 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 123.554 0.742 . . . . 0.0 111.971 -176.047 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 166.25 35.82 0.02 OUTLIER Glycine 0 N--CA 1.442 -0.906 0 N-CA-C 108.854 -1.698 . . . . 0.0 108.854 -176.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.663 ' CZ2' ' HA ' ' A' ' 16' ' ' PRO . 49.2 t90 -112.35 143.37 43.58 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 114.88 -0.66 . . . . 0.0 111.452 -171.552 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -113.48 131.75 22.83 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.57 175.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.663 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 19.8 Cg_endo -60.4 -22.3 70.85 Favored 'Trans proline' 0 N--CA 1.477 0.512 0 C-N-CA 123.563 2.842 . . . . 0.0 114.689 -172.749 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -103.68 -41.97 5.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.972 0.415 . . . . 0.0 111.066 -178.219 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -87.2 -82.58 0.21 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.697 -178.306 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.529 ' HA3' ' HA ' ' A' ' 44' ' ' THR . . . 164.11 -146.71 11.77 Favored Glycine 0 N--CA 1.443 -0.846 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.271 -178.398 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.493 ' HB2' ' HG ' ' A' ' 43' ' ' LEU . 72.2 m-85 -78.95 143.56 35.66 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.016 0.436 . . . . 0.0 111.025 -179.087 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -73.42 91.08 1.73 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.096 175.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.725 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 16.0 m -66.03 -19.15 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.282 -174.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -91.9 6.81 44.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.879 0.371 . . . . 0.0 110.818 178.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -134.75 20.76 3.55 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.798 172.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.725 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 14.4 mt -65.97 139.1 58.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.532 0.682 . . . . 0.0 112.08 -177.042 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -78.15 140.91 61.85 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.288 178.078 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -43.58 -47.07 9.74 Favored 'Trans proline' 0 C--O 1.238 0.517 0 C-N-CA 122.994 2.463 . . . . 0.0 113.355 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -69.84 -47.31 63.19 Favored 'General case' 0 CA--C 1.516 -0.339 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.773 -177.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.8 mp -50.26 -49.71 52.33 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.719 0.295 . . . . 0.0 110.966 172.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.459 ' HD3' ' O ' ' A' ' 30' ' ' ARG . 1.7 tmt_? -58.05 -41.42 83.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.327 -179.345 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.8 t -68.74 -49.02 62.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.189 0.518 . . . . 0.0 110.264 179.074 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.932 HD21 HG13 ' B' ' 79' ' ' VAL . 1.9 tm? -59.87 -56.86 16.5 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.531 -174.711 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.53 ' HA ' HD12 ' A' ' 38' ' ' ILE . 17.0 m-85 -60.65 -40.01 90.42 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.627 -177.329 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 36.8 t -63.94 -39.54 94.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.749 177.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -63.46 -39.46 94.53 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-O 121.144 0.497 . . . . 0.0 110.767 176.093 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.77 -18.36 62.12 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.413 -177.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 107.39 -4.92 35.27 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.385 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.615 HD13 HD13 ' A' ' 52' ' ' ILE . 7.0 mt -72.18 115.24 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 122.325 0.25 . . . . 0.0 110.61 178.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.465 ' HB3' ' OE2' ' B' ' 100' ' ' GLU . 7.4 t -91.32 178.76 5.88 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 176.272 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.422 ' HG3' HG11 ' A' ' 22' ' ' VAL . 36.2 tt0 -57.52 -47.65 81.39 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -172.671 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.541 ' O ' ' HE1' ' B' ' 101' ' ' HIS . . . -68.66 -42.9 77.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.746 0.308 . . . . 0.0 110.857 -179.512 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.713 ' HG2' HG21 ' A' ' 48' ' ' THR . 33.9 tt0 -57.2 -40.76 78.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.449 0.642 . . . . 0.0 109.788 175.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.493 ' HG ' ' HB2' ' A' ' 20' ' ' PHE . 34.9 tp -74.51 -2.35 25.33 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.221 -178.659 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.529 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 12.3 p -125.03 23.99 7.64 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.696 0.76 . . . . 0.0 109.949 174.591 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.653 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 27.2 t70 -86.13 142.36 28.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.357 172.707 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.84 -58.44 7.59 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -174.005 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -76.26 -41.0 50.4 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.623 -176.068 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.713 HG21 ' HG2' ' A' ' 42' ' ' GLN . 37.1 m -52.98 -55.8 20.78 Favored 'General case' 0 N--CA 1.457 -0.089 0 CA-C-O 120.54 0.21 . . . . 0.0 111.49 178.233 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.1 m -64.17 -42.39 96.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.798 0.332 . . . . 0.0 111.452 -176.23 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -60.95 -35.7 77.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.377 0.608 . . . . 0.0 110.158 -178.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.743 HD12 HD11 ' B' ' 92' ' ' ILE . 84.9 mt -86.24 -29.46 23.11 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.789 -177.534 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.615 HD13 HD13 ' A' ' 38' ' ' ILE . 45.5 mt -62.31 -47.83 91.23 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 C-N-CA 120.534 -0.467 . . . . 0.0 110.453 169.344 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.485 ' HE1' HG23 ' A' ' 12' ' ' VAL . 61.0 t80 -61.05 -43.73 98.44 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 177.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -55.89 -43.59 77.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.139 175.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.685 ' HE1' ' HG3' ' B' ' 82' ' ' ARG . 40.3 t80 -56.72 -55.08 38.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.282 175.602 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 52' ' ' ILE . 62.7 mt -59.18 -44.35 91.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.829 -176.164 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -64.55 -40.16 95.07 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.876 177.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -61.87 -38.68 89.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.15 178.009 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.551 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 34.1 mm-40 -66.8 -16.64 64.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.505 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.39 0.18 16.18 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.679 -0.772 . . . . 0.0 111.685 -177.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.55 ' HA3' ' HB3' ' A' ' 8' ' ' HIS . . . 123.48 -171.88 16.08 Favored Glycine 0 N--CA 1.441 -0.987 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.657 177.188 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.854 HD11 HG22 ' A' ' 12' ' ' VAL . 8.1 mp -71.16 -46.43 61.47 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.086 0.469 . . . . 0.0 110.271 -174.793 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -58.55 -32.12 68.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.376 -177.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.83 -53.82 44.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.945 -174.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.686 ' O ' ' HG3' ' A' ' 69' ' ' MET . 0.8 OUTLIER -69.33 -32.86 55.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 C-N-CA 120.522 -0.471 . . . . 0.0 109.918 -175.379 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 73.2 mtp180 -62.61 -28.68 70.06 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.38 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -82.22 -32.61 29.71 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.254 178.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.702 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 7.3 mt-10 -66.66 -28.85 68.79 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-O 120.871 0.367 . . . . 0.0 110.189 176.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.686 ' HG3' ' O ' ' A' ' 65' ' ' VAL . 66.9 mtp -61.8 -29.52 70.21 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.704 0.764 . . . . 0.0 109.587 175.637 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.2 mtp85 -103.07 14.79 31.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.9 -1.045 . . . . 0.0 108.895 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.702 ' HB3' ' HA ' ' A' ' 68' ' ' GLU . 33.5 ttm180 -133.49 -97.91 0.28 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.888 -1.051 . . . . 0.0 110.174 -175.163 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.415 ' HG2' ' HG2' ' A' ' 71' ' ' ARG . 10.6 pt20 . . . . . 0 C--O 1.251 1.135 0 C-N-CA 123.799 0.84 . . . . 0.0 108.869 -179.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.624 0 N-CA-C 111.756 -0.537 . . . . 0.0 111.756 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 74.4 m80 -131.51 104.37 6.94 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 178.144 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 75' ' ' MET . . . . . . . . . . . . . 23.3 mmt -70.35 -16.21 62.95 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.585 0.707 . . . . 0.0 110.156 179.019 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' LEU . . . . . 0.805 ' H ' ' HG3' ' B' ' 81' ' ' GLN . 10.3 tp -113.89 145.91 34.5 Favored Pre-proline 0 C--N 1.32 -0.687 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 176.482 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 77' ' ' PRO . . . . . 0.735 ' HD2' ' HG ' ' B' ' 76' ' ' LEU . 51.0 Cg_endo -90.63 48.42 0.79 Allowed 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 123.44 2.76 . . . . 0.0 111.631 -172.438 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -161.22 157.99 26.58 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.147 -167.047 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.932 HG13 HD21 ' A' ' 32' ' ' LEU . 2.5 p -58.74 -16.07 7.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.077 173.597 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.554 ' HB3' HD23 ' B' ' 76' ' ' LEU . . . -45.04 -56.37 4.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.944 170.012 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 81' ' ' GLN . . . . . 0.805 ' HG3' ' H ' ' B' ' 76' ' ' LEU . 0.0 OUTLIER -68.72 -28.9 67.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.057 0.456 . . . . 0.0 110.455 -178.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 82' ' ' ARG . . . . . 0.685 ' HG3' ' HE1' ' A' ' 55' ' ' PHE . 7.9 tpt180 -66.71 -33.9 76.66 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.721 178.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 0.614 HD13 ' CD2' ' A' ' 55' ' ' PHE . 22.1 tp -77.87 -38.39 46.08 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.499 177.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 84' ' ' MET . . . . . 0.485 ' HG3' ' O ' ' B' ' 80' ' ' ALA . 65.9 mtt -49.36 -48.76 46.47 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.296 0.57 . . . . 0.0 110.828 178.282 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 85' ' ' GLN . . . . . 0.58 ' O ' ' HG3' ' B' ' 89' ' ' GLU . 43.9 mt-30 -63.74 -39.85 95.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.941 -177.679 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 86' ' ' HIS . . . . . 0.597 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 58.8 t60 -66.09 -29.25 69.54 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.739 -173.5 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.443 ' O ' HD13 ' B' ' 92' ' ' ILE . 0.6 OUTLIER -80.15 -35.08 37.09 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.38 174.653 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.67 -22.63 66.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.819 -176.091 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.58 ' HG3' ' O ' ' B' ' 85' ' ' GLN . 39.2 mt-10 -63.01 -32.02 73.28 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.604 179.5 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -101.83 -74.17 0.63 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -168.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 164.24 30.27 0.02 OUTLIER Glycine 0 N--CA 1.454 -0.16 0 C-N-CA 120.345 -0.931 . . . . 0.0 112.466 179.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 92' ' ' ILE . . . . . 0.743 HD11 HD12 ' A' ' 51' ' ' LEU . 1.7 mp -53.5 143.5 5.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 C-N-CA 123.371 0.668 . . . . 0.0 112.259 -177.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 93' ' ' GLN . . . . . 0.519 ' O ' ' HG3' ' A' ' 42' ' ' GLN . 1.1 mp0 -87.18 102.0 2.77 Favored Pre-proline 0 C--N 1.331 -0.232 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 176.335 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 94' ' ' PRO . . . . . 0.485 ' HD3' ' O ' ' B' ' 92' ' ' ILE . 93.9 Cg_endo -87.76 153.46 7.41 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 123.023 2.482 . . . . 0.0 113.891 -170.23 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.7 3.09 46.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.934 177.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -70.5 -44.52 67.47 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.211 -178.368 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 24.5 p-10 -103.04 20.69 17.1 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.883 177.105 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 98' ' ' MET . . . . . . . . . . . . . 25.8 mmt 56.16 42.55 28.07 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.378 179.004 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 99' ' ' ALA . . . . . 0.449 ' O ' ' HB3' ' B' ' 93' ' ' GLN . . . -105.34 32.4 4.28 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.962 -178.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 100' ' ' GLU . . . . . 0.465 ' OE2' ' HB3' ' A' ' 39' ' ' SER . 48.7 mt-10 -67.29 128.43 36.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.019 177.733 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 101' ' ' HIS . . . . . 0.541 ' HE1' ' O ' ' A' ' 41' ' ' ALA . 2.1 p-80 -52.92 126.47 20.45 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.343 179.242 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 70.2 mt -123.87 109.14 30.14 Favored Pre-proline 0 C--N 1.323 -0.567 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 177.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 103' ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' B' ' 104' ' ' PRO . 79.0 Cg_endo -84.97 116.81 1.86 Allowed 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 122.507 2.138 . . . . 0.0 112.417 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 104' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' B' ' 103' ' ' PRO . 7.9 Cg_exo -73.28 166.51 29.74 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.915 2.41 . . . . 0.0 111.661 176.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 105' ' ' ALA . . . . . 0.407 ' HA ' ' HD3' ' B' ' 106' ' ' PRO . . . -93.57 113.91 61.53 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.531 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 106' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' B' ' 105' ' ' ALA . 16.6 Cg_exo -67.51 98.98 0.5 Allowed 'Trans proline' 0 C--O 1.236 0.39 0 C-N-CA 122.854 2.369 . . . . 0.0 111.987 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -110.43 178.03 4.51 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.439 178.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 72.3 t-105 . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.536 -0.745 . . . . 0.0 109.614 177.855 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.705 0 N-CA-C 112.076 -0.41 . . . . 0.0 112.076 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -142.17 107.82 5.1 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -89.37 150.77 22.4 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.58 -172.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 39.3 m 70.9 -62.74 0.44 Allowed 'General case' 0 N--CA 1.467 0.39 0 O-C-N 124.329 1.018 . . . . 0.0 112.462 176.25 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 91.55 -143.06 16.37 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 121.001 -0.618 . . . . 0.0 112.011 -178.066 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.617 ' CE2' ' HA ' ' A' ' 10' ' ' SER . 16.2 t80 -124.71 61.83 1.15 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.575 0.703 . . . . 0.0 109.288 179.551 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -92.38 144.86 24.95 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.479 -0.782 . . . . 0.0 112.162 -172.429 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.578 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 10.0 t-80 46.99 75.01 0.13 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 114.975 -1.011 . . . . 0.0 112.374 173.623 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.578 ' HB ' ' O ' ' A' ' 8' ' ' HIS . 7.1 p 158.83 -14.92 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 -175.529 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.617 ' HA ' ' CE2' ' A' ' 6' ' ' PHE . 5.3 t -62.16 -29.63 70.49 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 113.671 -1.604 . . . . 0.0 112.01 -177.232 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.496 ' O ' HG12 ' A' ' 12' ' ' VAL . 79.7 m-70 68.77 4.69 4.54 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.872 -170.07 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.616 HG21 HD11 ' A' ' 29' ' ' LEU . 6.6 p 59.61 -47.65 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 126.609 1.964 . . . . 0.0 114.459 176.647 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 159.75 38.77 0.02 OUTLIER Glycine 0 N--CA 1.443 -0.864 0 N-CA-C 110.487 -1.045 . . . . 0.0 110.487 -178.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.595 ' CZ2' ' HA ' ' A' ' 16' ' ' PRO . 49.2 t90 -121.43 133.31 55.07 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.205 -0.497 . . . . 0.0 110.976 -174.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.512 ' HB3' ' HB2' ' A' ' 18' ' ' ASN . 10.8 t70 -108.85 138.73 20.4 Favored Pre-proline 0 C--N 1.323 -0.57 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 173.408 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.595 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 1.2 Cg_endo -43.25 -51.5 5.71 Favored 'Trans proline' 0 CA--C 1.532 0.419 0 C-N-CA 124.214 3.276 . . . . 0.0 113.742 -173.769 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.546 ' NE2' ' HB2' ' A' ' 16' ' ' PRO . 20.4 mp0 -104.24 -31.09 9.76 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -177.627 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.512 ' HB2' ' HB3' ' A' ' 15' ' ' ASP . 44.2 m-80 -80.64 -16.31 54.37 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.824 0.345 . . . . 0.0 111.305 -175.34 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 83.26 -162.75 40.54 Favored Glycine 0 N--CA 1.442 -0.959 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.545 177.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.434 ' HB3' HD21 ' A' ' 25' ' ' LEU . 63.0 m-85 -74.08 141.06 45.7 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.122 0.487 . . . . 0.0 110.061 178.614 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.04 96.25 4.37 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 174.379 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.633 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 9.6 p -61.71 -17.76 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.261 0.553 . . . . 0.0 110.797 -179.698 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -84.05 -11.95 55.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.984 176.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -132.41 27.22 4.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.869 0.366 . . . . 0.0 110.875 -177.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.633 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 19.5 mt -71.36 135.98 47.57 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.155 0.502 . . . . 0.0 112.032 -176.249 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.407 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 6.1 t70 -59.42 130.71 87.67 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 114.922 -1.036 . . . . 0.0 109.691 172.78 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 26' ' ' ASP . 68.1 Cg_exo -51.62 -33.49 48.91 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 123.939 3.092 . . . . 0.0 113.817 -176.172 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.417 ' O ' ' HE1' ' A' ' 69' ' ' MET . 15.7 m-20 -79.9 -45.04 19.33 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.616 HD11 HG21 ' A' ' 12' ' ' VAL . 90.4 mt -60.76 -41.07 94.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.751 0.31 . . . . 0.0 110.863 176.491 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -60.6 -32.51 71.63 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.232 0.539 . . . . 0.0 109.957 179.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.4 t -74.97 -44.81 46.19 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.834 176.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.674 HD21 HG23 ' B' ' 79' ' ' VAL . 1.5 tm? -68.85 -54.98 12.6 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.936 -1.029 . . . . 0.0 112.14 -173.319 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.453 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 22.0 m-30 -53.72 -37.72 63.6 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.942 -178.06 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 46.1 t -61.92 -42.21 98.83 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.533 178.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 73.1 mtp85 -63.83 -35.72 81.55 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.178 0.513 . . . . 0.0 110.187 175.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.425 ' O ' ' HG2' ' B' ' 84' ' ' MET . . . -74.54 -5.07 40.7 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.14 -0.936 . . . . 0.0 112.056 -174.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.99 -3.57 82.75 Favored Glycine 0 CA--C 1.509 -0.304 0 C-N-CA 120.702 -0.761 . . . . 0.0 111.535 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.756 HD13 HD13 ' A' ' 52' ' ' ILE . 33.2 mt -72.55 108.3 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.808 0 CA-C-N 115.357 -0.421 . . . . 0.0 110.178 176.271 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.412 ' HB3' ' CB ' ' B' ' 95' ' ' ALA . 17.0 t -94.42 -178.71 4.67 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.695 177.13 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -58.17 -39.17 78.19 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.821 0.343 . . . . 0.0 111.577 -175.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.3 -43.38 96.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.775 0.322 . . . . 0.0 111.451 177.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.623 ' HG3' ' HB2' ' B' ' 95' ' ' ALA . 23.0 mt-30 -66.66 -34.58 78.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.642 -0.253 . . . . 0.0 111.184 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.632 HD13 HD11 ' A' ' 25' ' ' LEU . 53.0 mt -76.72 -8.0 56.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.81 0.338 . . . . 0.0 111.127 179.496 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.1 p -116.99 15.51 15.12 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.528 0.68 . . . . 0.0 109.679 175.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.599 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 31.5 t70 -90.77 156.92 17.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.395 178.506 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.14 -68.07 0.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.506 0.193 . . . . 0.0 111.504 -178.034 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -75.34 -35.81 61.13 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.973 -172.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.599 ' HB ' ' HB3' ' A' ' 45' ' ' ASP . 28.8 m -56.44 -60.04 4.1 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.277 178.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 14.5 m -58.02 -41.29 82.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.779 0.323 . . . . 0.0 111.109 -176.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.471 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 64.0 tttp -60.72 -40.82 93.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.659 -178.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.669 HD12 HD11 ' B' ' 92' ' ' ILE . 62.5 mt -84.39 -20.0 32.64 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.796 -177.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.756 HD13 HD13 ' A' ' 38' ' ' ILE . 59.7 mt -65.58 -47.1 87.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 CA-C-O 121.042 0.449 . . . . 0.0 109.82 167.03 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -63.71 -39.73 95.03 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 176.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.471 ' HB3' ' HA ' ' A' ' 51' ' ' LEU . 23.9 t70 -54.85 -40.79 70.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.161 173.695 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.668 ' CZ ' HG12 ' B' ' 79' ' ' VAL . 41.5 t80 -61.35 -50.53 72.56 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.3 -0.863 . . . . 0.0 111.161 176.28 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 52' ' ' ILE . 51.3 mt -64.66 -41.57 92.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.713 -176.61 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.405 ' OE2' ' NE2' ' A' ' 8' ' ' HIS . 7.8 tp10 -63.15 -38.72 92.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.794 176.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.429 ' HB3' ' O ' ' A' ' 55' ' ' PHE . 4.3 t70 -58.03 -41.2 82.72 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.417 177.575 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.609 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 64.8 mm-40 -69.5 -15.03 63.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.296 -176.044 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.48 -6.67 12.66 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.899 -0.667 . . . . 0.0 111.935 -177.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 128.74 -161.44 22.37 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.643 177.25 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.457 ' CD2' ' HB ' ' A' ' 12' ' ' VAL . 27.9 mt -74.32 -42.29 59.7 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.925 0.393 . . . . 0.0 110.934 -171.635 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.475 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 45.0 mt-10 -66.27 -25.08 66.7 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.898 -177.638 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.455 ' O ' ' HG2' ' A' ' 68' ' ' GLU . . . -65.63 -44.42 86.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.562 -177.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.505 HG13 HG11 ' B' ' 79' ' ' VAL . 97.3 t -64.9 -35.58 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.105 0.479 . . . . 0.0 110.656 -178.261 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -63.06 -29.79 71.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.754 176.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.475 ' HG3' ' O ' ' A' ' 63' ' ' GLU . 95.9 mt-30 -74.68 -41.51 60.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.477 179.194 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.55 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 4.3 mm-40 -59.64 -30.65 68.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.19 -177.407 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.417 ' HE1' ' O ' ' A' ' 28' ' ' ASP . 30.5 mtt -61.21 -27.1 68.18 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.393 178.718 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -118.41 21.63 12.54 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.378 0.609 . . . . 0.0 109.927 176.132 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.556 ' HD2' ' N ' ' A' ' 72' ' ' GLN . 2.6 tmm_? -132.75 -91.36 0.39 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.448 178.515 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.556 ' N ' ' HD2' ' A' ' 71' ' ' ARG . 8.9 pt20 . . . . . 0 C--O 1.252 1.215 0 C-N-CA 123.792 0.837 . . . . 0.0 109.251 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.736 0 N-CA-C 111.648 -0.581 . . . . 0.0 111.648 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 74' ' ' HIS . . . . . 0.985 ' HB3' ' HG3' ' B' ' 82' ' ' ARG . 71.6 m80 -138.62 41.94 2.17 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.21 0.529 . . . . 0.0 110.485 178.04 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 75' ' ' MET . . . . . . . . . . . . . 67.2 mtt -86.59 88.06 7.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.971 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' LEU . . . . . 0.972 HD13 ' HB3' ' B' ' 81' ' ' GLN . 35.3 mt -140.53 178.67 1.49 Allowed Pre-proline 0 C--N 1.324 -0.525 0 CA-C-O 118.341 -0.837 . . . . 0.0 109.012 177.603 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 77' ' ' PRO . . . . . 0.632 ' CD ' ' HB3' ' B' ' 76' ' ' LEU . 24.2 Cg_exo -63.53 -32.73 69.97 Favored 'Trans proline' 0 C--N 1.36 1.16 0 C-N-CA 121.725 1.617 . . . . 0.0 114.05 -164.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 78' ' ' ASP . . . . . 0.457 ' HA ' ' OXT' ' A' ' 72' ' ' GLN . 4.6 p-10 -164.76 -174.2 3.28 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.937 -178.533 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.674 HG23 HD21 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -49.48 -36.6 10.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.555 177.537 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.1 -64.96 0.65 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.616 0.722 . . . . 0.0 111.926 -178.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 81' ' ' GLN . . . . . 0.972 ' HB3' HD13 ' B' ' 76' ' ' LEU . 26.8 mp0 -72.21 -25.31 61.61 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.457 -176.481 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 82' ' ' ARG . . . . . 0.985 ' HG3' ' HB3' ' B' ' 74' ' ' HIS . 39.7 ttm180 -66.0 -32.74 74.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.411 0.624 . . . . 0.0 109.968 176.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 0.579 HD13 ' CD1' ' A' ' 38' ' ' ILE . 1.3 mt -71.47 -42.01 68.66 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.918 177.443 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 84' ' ' MET . . . . . 0.425 ' HG2' ' O ' ' A' ' 36' ' ' ALA . 58.2 mtt -49.54 -52.74 27.74 Favored 'General case' 0 CA--C 1.519 -0.222 0 O-C-N 123.677 0.61 . . . . 0.0 110.049 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 85' ' ' GLN . . . . . 0.724 ' OE1' ' HA ' ' B' ' 74' ' ' HIS . 95.9 mt-30 -58.83 -42.23 88.76 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.34 179.191 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 86' ' ' HIS . . . . . 0.728 ' HA ' ' OE2' ' B' ' 89' ' ' GLU . 33.2 t60 -70.27 -23.25 62.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.76 -171.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.474 ' HB3' ' HB ' ' B' ' 92' ' ' ILE . 0.2 OUTLIER -86.07 -42.65 13.75 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.068 173.719 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.83 -30.66 70.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.815 -177.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.728 ' OE2' ' HA ' ' B' ' 86' ' ' HIS . 13.6 pt-20 -68.91 -18.1 64.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.64 0.257 . . . . 0.0 111.686 -178.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -103.82 -41.41 5.91 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -177.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 127.58 16.84 2.21 Favored Glycine 0 CA--C 1.516 0.156 0 C-N-CA 120.165 -1.017 . . . . 0.0 112.795 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 92' ' ' ILE . . . . . 0.669 HD11 HD12 ' A' ' 51' ' ' LEU . 1.7 mp -46.96 143.82 0.84 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.424 0 C-N-CA 123.585 0.754 . . . . 0.0 112.579 178.208 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -82.61 113.78 47.19 Favored Pre-proline 0 N--CA 1.453 -0.302 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.867 177.136 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 94' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.76 142.69 44.13 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.709 2.272 . . . . 0.0 112.819 -174.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 95' ' ' ALA . . . . . 0.623 ' HB2' ' HG3' ' A' ' 42' ' ' GLN . . . -101.98 5.24 40.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.055 177.631 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -57.31 -57.78 11.13 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 170.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 22.1 p-10 -121.13 137.04 54.85 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.85 -1.068 . . . . 0.0 108.635 170.192 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 98' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -76.09 71.41 2.84 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.761 0.315 . . . . 0.0 110.957 -177.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -75.12 -77.21 0.13 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.616 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -114.65 126.07 54.46 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.129 178.206 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -175.17 24.54 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 176.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 29.0 pt -131.53 141.02 40.21 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.303 -170.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -87.89 133.42 3.0 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 C-N-CA 122.82 2.346 . . . . 0.0 111.257 172.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 104' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_exo -51.43 116.24 2.58 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.795 2.33 . . . . 0.0 112.034 179.223 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -76.7 117.43 64.64 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.229 -177.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 106' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -61.95 130.91 32.68 Favored 'Trans proline' 0 C--O 1.235 0.354 0 C-N-CA 122.809 2.339 . . . . 0.0 111.699 178.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -148.5 -174.16 4.53 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.446 -178.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 10.5 m-90 . . . . . 0 C--O 1.252 1.232 0 CA-C-O 118.446 -0.788 . . . . 0.0 110.578 -176.826 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.594 0 N-CA-C 111.791 -0.523 . . . . 0.0 111.791 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 22.3 p-80 -161.39 129.3 4.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.882 0.372 . . . . 0.0 110.092 178.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.0 ptt? -129.5 1.14 5.03 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.994 0.426 . . . . 0.0 111.045 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.9 m -92.37 64.24 4.33 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.318 0.58 . . . . 0.0 109.75 175.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -86.69 -35.04 10.6 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.562 -174.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.578 ' CE2' ' HB3' ' A' ' 8' ' ' HIS . 47.7 t80 -88.33 106.12 18.02 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.898 0.38 . . . . 0.0 110.293 -179.178 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.751 ' HG2' ' HG2' ' A' ' 63' ' ' GLU . 21.6 tptm -88.55 80.15 7.43 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.294 0.568 . . . . 0.0 110.276 -177.702 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.578 ' HB3' ' CE2' ' A' ' 6' ' ' PHE . 20.9 t-80 -176.57 63.63 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.032 -0.986 . . . . 0.0 109.032 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 24.0 t -130.29 -21.73 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.151 -172.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.449 ' O ' ' HB2' ' A' ' 11' ' ' HIS . 29.9 p -63.21 -13.29 35.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.621 179.397 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.449 ' HB2' ' O ' ' A' ' 10' ' ' SER . 41.2 m80 69.14 2.48 3.65 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.499 -170.06 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.533 HG22 HD11 ' A' ' 62' ' ' LEU . 2.5 t 54.3 18.75 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 CA-C-N 114.789 -1.096 . . . . 0.0 112.634 176.272 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 64.61 22.32 67.83 Favored Glycine 0 CA--C 1.517 0.197 0 C-N-CA 120.9 -0.666 . . . . 0.0 112.23 -176.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.457 ' CH2' ' HA ' ' A' ' 16' ' ' PRO . 88.5 t90 -97.95 134.64 40.79 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.891 0.377 . . . . 0.0 110.754 -177.421 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.407 ' CG ' ' HD2' ' A' ' 16' ' ' PRO . 7.0 t70 -117.33 136.48 23.48 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.595 178.143 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.457 ' HA ' ' CH2' ' A' ' 14' ' ' TRP . 76.5 Cg_exo -29.15 -70.71 0.04 OUTLIER 'Trans proline' 0 CA--C 1.534 0.523 1 C-N-CA 125.59 4.193 . . . . 0.0 115.879 -173.053 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -103.42 -23.96 13.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.868 0.366 . . . . 0.0 111.206 -175.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -73.98 -30.77 62.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.788 0.328 . . . . 0.0 110.605 -177.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.67 -153.6 19.24 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.918 -0.658 . . . . 0.0 113.412 173.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -85.44 143.84 28.34 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.573 -0.313 . . . . 0.0 110.342 -179.023 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -71.71 85.22 0.91 Allowed 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 173.075 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.687 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 12.7 p -62.3 -24.76 35.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.679 -175.599 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -75.2 -36.18 61.45 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.094 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -116.72 42.95 2.35 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.15 0.5 . . . . 0.0 110.389 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.687 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 5.6 mt -66.11 140.69 58.25 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.011 -179.155 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -58.45 131.05 84.94 Favored Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 173.329 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -47.94 -24.8 5.56 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 123.908 3.072 . . . . 0.0 114.504 -173.614 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.431 ' OD2' ' HG3' ' A' ' 69' ' ' MET . 10.9 t70 -84.94 -51.2 6.88 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 179.179 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.513 ' HG ' ' CZ ' ' A' ' 33' ' ' PHE . 9.5 mp -54.16 -44.36 71.39 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.961 0.41 . . . . 0.0 111.167 173.511 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.5 tpt180 -58.33 -24.84 60.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.732 178.252 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.7 t -90.05 -45.18 9.33 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.166 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.534 HD21 HG23 ' B' ' 79' ' ' VAL . 1.7 tm? -69.14 -54.28 15.74 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.416 -172.252 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.513 ' CZ ' ' HG ' ' A' ' 29' ' ' LEU . 21.5 m-30 -55.9 -36.78 68.04 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.639 -174.412 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.6 t -63.72 -32.41 73.89 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.483 177.105 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.464 HH11 ' HD2' ' A' ' 35' ' ' ARG . 23.7 mtp85 -74.81 -27.3 60.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.152 0.501 . . . . 0.0 110.46 177.746 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.447 ' HB1' ' HB3' ' B' ' 83' ' ' LEU . . . -83.61 -14.79 51.2 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.433 -175.677 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 107.73 -9.07 37.41 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.257 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.83 HD13 HD13 ' A' ' 52' ' ' ILE . 7.7 mt -73.31 119.03 19.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.821 0.343 . . . . 0.0 111.552 -177.357 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.539 ' HB3' ' HB2' ' B' ' 95' ' ' ALA . 39.5 t -95.85 177.18 5.85 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.089 174.456 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.519 ' HG2' HG21 ' A' ' 22' ' ' VAL . 87.3 mt-10 -50.03 -54.22 21.7 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.148 0.499 . . . . 0.0 111.729 -178.148 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.456 ' HB2' ' SD ' ' B' ' 98' ' ' MET . . . -56.71 -27.46 59.08 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.924 -173.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.615 ' HB3' HG21 ' A' ' 48' ' ' THR . 54.8 mt-30 -83.7 -30.4 26.79 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.263 -175.019 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.551 HD13 HD11 ' A' ' 25' ' ' LEU . 97.2 mt -73.42 -18.77 61.11 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.037 175.441 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 42.3 p -104.19 11.81 34.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.905 176.411 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.651 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 21.4 t70 -91.8 144.26 25.68 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.539 175.583 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.58 -69.41 0.21 Allowed 'General case' 0 C--O 1.239 0.529 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -172.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -71.26 -35.3 71.33 Favored 'General case' 0 CA--C 1.52 -0.179 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.243 -174.251 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.651 ' HB ' ' HB3' ' A' ' 45' ' ' ASP . 56.0 m -60.64 -50.53 73.15 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.919 -179.303 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.7 t -68.03 -44.74 75.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.294 -175.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -66.93 -31.75 72.55 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.984 -0.287 . . . . 0.0 111.092 -176.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.62 HD12 HD11 ' B' ' 92' ' ' ILE . 67.6 mt -76.14 -28.87 57.57 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.894 -0.322 . . . . 0.0 111.038 177.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.83 HD13 HD13 ' A' ' 38' ' ' ILE . 75.1 mt -69.19 -44.6 80.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 121.248 0.547 . . . . 0.0 110.337 170.777 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -61.44 -41.42 97.17 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.122 178.028 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -68.12 -29.24 68.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.923 176.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.909 ' HE1' ' HG3' ' B' ' 82' ' ' ARG . 20.1 t80 -63.76 -47.2 81.96 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.741 177.389 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.474 HD11 ' HZ ' ' A' ' 33' ' ' PHE . 58.5 mt -62.62 -35.9 72.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.437 0.637 . . . . 0.0 109.967 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -68.65 -47.35 66.79 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.978 175.032 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -52.4 -36.39 54.06 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.784 176.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -75.33 -11.86 60.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.606 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.76 -7.9 11.96 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.657 -0.782 . . . . 0.0 113.23 178.167 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 131.16 -171.08 21.16 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.441 -0.885 . . . . 0.0 112.399 178.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.533 HD11 HG22 ' A' ' 12' ' ' VAL . 84.8 mt -64.47 -48.4 75.39 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.633 0.217 . . . . 0.0 111.563 -174.523 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.751 ' HG2' ' HG2' ' A' ' 7' ' ' LYS . 26.9 mm-40 -60.37 -32.07 70.94 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.337 -177.768 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.87 -42.37 97.77 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.935 0.397 . . . . 0.0 111.369 -175.158 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.603 HG13 HG11 ' B' ' 79' ' ' VAL . 81.7 t -70.4 -41.21 78.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.379 0.609 . . . . 0.0 109.718 178.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 51.7 mtp180 -68.36 -22.08 64.68 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.516 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.572 ' HG3' ' O ' ' A' ' 63' ' ' GLU . 96.8 mt-30 -73.56 -44.01 58.43 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.323 174.48 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.854 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 23.9 mt-10 -63.87 -21.88 66.66 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.729 0.3 . . . . 0.0 111.59 -178.205 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.431 ' HG3' ' OD2' ' A' ' 28' ' ' ASP . 11.6 mmt -57.21 -27.58 62.11 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.824 171.439 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.1 mtp180 -116.17 -12.11 11.26 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.466 -178.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.854 ' HB3' ' HA ' ' A' ' 68' ' ' GLU . 32.4 ttt180 -69.26 -66.83 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.68 178.133 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 . . . . . 0 C--O 1.249 1.055 0 CA-C-N 115.142 -0.936 . . . . 0.0 109.987 -177.061 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.622 0 N-CA-C 111.583 -0.607 . . . . 0.0 111.583 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 74' ' ' HIS . . . . . 0.509 ' HB3' ' O ' ' B' ' 76' ' ' LEU . 79.9 m80 -127.49 98.33 5.19 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 175.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 75' ' ' MET . . . . . . . . . . . . . 26.0 ttt -61.64 -28.31 69.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.556 0.694 . . . . 0.0 109.853 177.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' LEU . . . . . 0.707 ' HB2' ' HB2' ' B' ' 81' ' ' GLN . 82.2 mt -109.22 135.26 20.25 Favored Pre-proline 0 C--N 1.317 -0.811 0 CA-C-N 114.838 -1.074 . . . . 0.0 108.582 171.226 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -81.58 -17.69 8.53 Favored 'Trans proline' 0 C--N 1.334 -0.221 0 C-N-CA 122.58 2.187 . . . . 0.0 113.523 -168.4 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -104.87 -167.51 1.36 Allowed 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.028 -172.226 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.603 HG11 HG13 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -48.57 -28.87 2.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.065 -0.97 . . . . 0.0 113.162 178.499 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.64 -62.58 1.54 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -177.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 81' ' ' GLN . . . . . 0.707 ' HB2' ' HB2' ' B' ' 76' ' ' LEU . 1.7 tm0? -71.85 -25.45 61.97 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.21 0.529 . . . . 0.0 110.709 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 82' ' ' ARG . . . . . 0.909 ' HG3' ' HE1' ' A' ' 55' ' ' PHE . 23.9 tpt180 -67.19 -26.95 66.88 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-O 121.522 0.677 . . . . 0.0 109.886 178.363 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 0.687 HD13 HD11 ' A' ' 38' ' ' ILE . 0.5 OUTLIER -81.46 -40.67 22.95 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.518 179.818 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 63.5 mtt -52.16 -55.49 20.63 Favored 'General case' 0 N--CA 1.465 0.293 0 O-C-N 123.675 0.61 . . . . 0.0 110.688 -179.179 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -62.7 -31.49 72.41 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.273 -178.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 86' ' ' HIS . . . . . 0.473 ' HA ' ' OE1' ' B' ' 89' ' ' GLU . 65.1 t60 -77.05 -17.64 58.64 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 -175.253 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.653 HD22 HG12 ' B' ' 92' ' ' ILE . 61.8 mt -94.52 -36.31 11.9 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.301 0.572 . . . . 0.0 110.227 174.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.53 -23.37 66.22 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.592 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.648 ' HG3' ' CD2' ' B' ' 90' ' ' HIS . 10.1 pt-20 -73.68 -9.12 58.34 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.266 -0.425 . . . . 0.0 112.089 -178.69 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 90' ' ' HIS . . . . . 0.648 ' CD2' ' HG3' ' B' ' 89' ' ' GLU . 97.9 m-70 -118.44 -76.23 0.57 Allowed 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.809 -178.424 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 163.18 36.55 0.02 OUTLIER Glycine 0 C--O 1.231 -0.072 0 C-N-CA 120.507 -0.854 . . . . 0.0 112.341 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 92' ' ' ILE . . . . . 0.653 HG12 HD22 ' B' ' 87' ' ' LEU . 1.7 mp -55.23 140.76 12.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 123.368 0.667 . . . . 0.0 112.434 -178.309 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 93' ' ' GLN . . . . . 0.439 ' HA ' ' HD3' ' B' ' 94' ' ' PRO . 24.6 mp0 -86.03 131.06 47.89 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.113 179.131 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 94' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' B' ' 93' ' ' GLN . 22.5 Cg_exo -64.98 170.67 9.98 Favored 'Trans proline' 0 N--CA 1.464 -0.265 0 C-N-CA 122.831 2.354 . . . . 0.0 111.389 174.258 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 95' ' ' ALA . . . . . 0.539 ' HB2' ' HB3' ' A' ' 39' ' ' SER . . . -75.26 66.84 1.8 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.177 0.513 . . . . 0.0 110.995 -178.275 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 96' ' ' ARG . . . . . 0.441 ' HA ' ' CZ ' ' B' ' 96' ' ' ARG . 3.9 mmp_? -107.76 1.01 22.65 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.13 -176.073 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -95.34 -78.21 0.46 Allowed 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.084 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 98' ' ' MET . . . . . 0.456 ' SD ' ' HB2' ' A' ' 41' ' ' ALA . 20.4 mmt 56.84 29.88 16.85 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 120.607 0.241 . . . . 0.0 111.513 179.439 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.34 -55.83 14.06 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.16 0.505 . . . . 0.0 111.048 -177.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -94.06 36.58 1.12 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.031 -179.12 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 101' ' ' HIS . . . . . 0.517 ' CE1' ' HB3' ' A' ' 40' ' ' GLU . 15.7 m-70 -127.37 153.98 45.54 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.911 -179.248 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 59.3 mt -134.0 82.74 47.99 Favored Pre-proline 0 C--N 1.322 -0.606 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 174.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 103' ' ' PRO . . . . . 0.426 ' HA ' ' HD3' ' B' ' 104' ' ' PRO . 74.3 Cg_endo -76.24 153.13 35.79 Favored 'Trans proline' 0 N--CA 1.464 -0.23 0 C-N-CA 122.742 2.295 . . . . 0.0 112.286 -178.569 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 104' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' B' ' 103' ' ' PRO . 28.1 Cg_exo -61.21 116.46 3.4 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.887 2.391 . . . . 0.0 112.017 179.206 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 105' ' ' ALA . . . . . 0.438 ' HA ' ' HD3' ' B' ' 106' ' ' PRO . . . -88.92 140.68 29.28 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.644 -178.067 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 106' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' B' ' 105' ' ' ALA . 16.7 Cg_exo -69.69 48.23 0.6 Allowed 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 123.556 2.837 . . . . 0.0 112.513 177.701 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -97.03 -25.44 15.36 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 176.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 72.9 t-105 . . . . . 0 C--O 1.25 1.114 0 CA-C-N 115.078 -0.964 . . . . 0.0 109.8 179.04 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.431 ' O ' ' HB2' ' A' ' 2' ' ' HIS . . . . . . . . 0 N--CA 1.483 1.829 0 N-CA-C 111.84 -0.504 . . . . 0.0 111.84 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.431 ' HB2' ' O ' ' A' ' 1' ' ' GLY . 50.6 m-70 72.13 -53.26 0.69 Allowed 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.257 0.623 . . . . 0.0 111.892 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 66.1 mtt -117.23 167.92 10.77 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.929 0.395 . . . . 0.0 111.132 -178.035 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 68.4 m -128.65 77.86 1.81 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.019 176.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -93.09 -86.13 1.58 Allowed Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.894 -0.669 . . . . 0.0 112.242 -179.081 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -79.39 73.48 6.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.744 0.783 . . . . 0.0 110.488 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.484 ' HG3' ' HG3' ' A' ' 63' ' ' GLU . 10.9 mmmm -99.3 40.26 1.23 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.782 178.424 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.3 t-160 -117.85 69.0 0.77 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.898 -177.236 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.0 m -133.28 -24.6 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.144 -176.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.458 ' C ' ' H ' ' A' ' 12' ' ' VAL . 2.3 m -70.12 -3.01 14.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.245 -178.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.518 ' O ' HG12 ' A' ' 12' ' ' VAL . 68.5 m80 70.54 -6.05 1.28 Allowed 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.393 0.677 . . . . 0.0 110.32 -174.369 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.518 HG12 ' O ' ' A' ' 11' ' ' HIS . 0.3 OUTLIER 62.21 -38.77 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 125.444 1.498 . . . . 0.0 113.722 -177.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 128.77 31.81 0.63 Allowed Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.319 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.433 ' HB2' ' CE1' ' A' ' 20' ' ' PHE . 76.4 t90 -116.23 132.45 56.66 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.614 0.245 . . . . 0.0 110.437 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.729 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . 1.1 t70 -114.29 140.17 24.74 Favored Pre-proline 0 C--N 1.322 -0.599 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 176.709 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_exo -33.78 -62.16 0.19 Allowed 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 124.567 3.511 . . . . 0.0 115.028 -174.012 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -104.38 -30.23 10.23 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 -177.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.729 ' HB3' ' HB3' ' A' ' 15' ' ' ASP . 28.6 t-20 -66.25 -34.8 78.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.775 0.321 . . . . 0.0 110.902 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 91.53 -165.23 29.72 Favored Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 115.987 -0.551 . . . . 0.0 112.45 178.199 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.573 ' CD2' HD12 ' A' ' 43' ' ' LEU . 97.9 m-85 -73.21 122.53 22.06 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 174.366 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -74.42 119.49 18.69 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 119.997 -0.681 . . . . 0.0 110.079 -178.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.673 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 18.0 m -72.69 -12.67 15.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.951 -172.193 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -78.42 -31.56 48.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.919 0.39 . . . . 0.0 110.145 -178.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -120.11 30.13 7.16 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.314 -177.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.673 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 23.2 mt -65.92 117.61 8.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.358 175.689 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -54.59 134.68 63.72 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.862 175.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -49.27 -28.39 14.9 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 123.982 3.121 . . . . 0.0 114.24 -177.015 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -76.27 -44.65 36.25 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 177.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.508 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 89.3 mt -62.52 -47.66 82.95 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.113 176.744 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -55.79 -40.63 72.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.106 178.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.0 t -63.0 -54.15 42.78 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.34 178.196 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.402 ' CD1' HG13 ' B' ' 79' ' ' VAL . 57.4 tp -62.49 -49.49 75.15 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.415 -173.682 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.508 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 16.8 m-30 -64.79 -47.76 76.95 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.324 -170.367 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.6 m -67.66 -23.88 65.37 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.295 0.569 . . . . 0.0 110.708 177.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.7 ttt85 -80.13 -15.58 56.79 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.932 175.225 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -107.86 18.76 20.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.605 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.3 -17.72 17.31 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 121.091 -0.576 . . . . 0.0 113.328 175.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.584 HD13 ' CD1' ' A' ' 52' ' ' ILE . 40.4 mt -65.09 105.14 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.135 0.493 . . . . 0.0 111.124 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.52 ' HB3' ' HB3' ' B' ' 95' ' ' ALA . 33.4 t -77.65 169.59 18.04 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.568 174.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.522 ' HB3' ' CE1' ' B' ' 101' ' ' HIS . 40.7 mt-10 -52.87 -44.54 66.92 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 -177.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.19 -24.88 60.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.268 -177.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.622 ' HB3' HG21 ' A' ' 48' ' ' THR . 47.3 mt-30 -82.27 -30.93 30.34 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.095 -176.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.573 HD12 ' CD2' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -66.13 -28.78 69.06 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.426 -0.51 . . . . 0.0 109.741 172.322 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.7 p -97.62 11.74 35.96 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.787 178.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.661 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 23.3 t70 -91.85 137.5 32.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.918 176.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.3 -68.66 0.19 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -171.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.0 pm0 -69.34 -39.93 77.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.191 -176.256 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.773 ' HA ' HG13 ' B' ' 92' ' ' ILE . 56.2 m -56.63 -52.51 64.61 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -177.673 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.402 ' HA ' HD12 ' A' ' 52' ' ' ILE . 88.1 p -66.14 -38.32 87.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.838 0.352 . . . . 0.0 111.183 -176.361 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -63.15 -39.28 94.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.44 -176.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.726 HD23 HD11 ' B' ' 92' ' ' ILE . 1.0 OUTLIER -74.43 -29.24 61.41 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.365 -0.534 . . . . 0.0 111.604 178.917 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.584 ' CD1' HD13 ' A' ' 38' ' ' ILE . 71.1 mt -63.38 -44.88 99.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.978 0.418 . . . . 0.0 110.172 171.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -61.24 -43.23 99.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.892 178.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -62.3 -41.51 98.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.19 -0.913 . . . . 0.0 110.701 175.073 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.558 ' CD2' HD13 ' B' ' 83' ' ' LEU . 59.3 t80 -56.45 -51.52 68.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.563 178.026 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.559 ' CG2' ' HA ' ' A' ' 62' ' ' LEU . 74.5 mt -61.13 -38.89 80.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.611 -177.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -66.44 -43.32 85.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.397 177.248 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -57.6 -31.2 65.98 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.972 -177.03 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.53 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 51.4 mm-40 -83.06 -1.9 53.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.824 0.345 . . . . 0.0 111.183 -176.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.61 -17.59 10.2 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.484 -0.865 . . . . 0.0 112.678 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 145.04 -177.63 23.35 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.243 -0.98 . . . . 0.0 113.317 177.181 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.559 ' HA ' ' CG2' ' A' ' 56' ' ' ILE . 72.8 mt -60.45 -36.59 78.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.389 -0.406 . . . . 0.0 111.489 -175.333 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.484 ' HG3' ' HG3' ' A' ' 7' ' ' LYS . 5.3 mm-40 -77.13 -18.56 57.81 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.105 -176.402 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.442 ' O ' ' HG3' ' A' ' 68' ' ' GLU . . . -64.08 -58.31 7.05 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 -173.618 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.769 ' HB ' HG21 ' B' ' 79' ' ' VAL . 3.0 m -74.8 -22.48 17.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.888 0.851 . . . . 0.0 109.383 -176.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 54.2 ttt180 -67.49 -28.92 68.24 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.154 -1.384 . . . . 0.0 109.701 177.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 -87.86 -28.58 21.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.979 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.699 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 21.3 mt-10 -62.06 -19.55 63.04 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 120.608 0.242 . . . . 0.0 111.521 -176.458 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 49.1 mtt -61.59 -32.26 72.35 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.235 0.54 . . . . 0.0 110.725 175.045 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.65 6.02 16.74 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.655 -179.723 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.699 ' HB3' ' HA ' ' A' ' 68' ' ' GLU . 32.2 ttt-85 -96.26 -58.26 2.12 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.326 -177.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.438 ' OE1' ' HD3' ' A' ' 71' ' ' ARG . 1.1 mp0 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.579 -0.724 . . . . 0.0 109.555 172.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.839 0 N-CA-C 112.422 -0.271 . . . . 0.0 112.422 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 44.6 p-80 -87.7 90.12 8.25 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.628 0.728 . . . . 0.0 110.473 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 75' ' ' MET . . . . . . . . . . . . . 22.4 ptt? -126.97 79.08 1.85 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.838 0.828 . . . . 0.0 110.79 -176.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' LEU . . . . . 0.823 ' H ' ' HB3' ' B' ' 81' ' ' GLN . 4.5 mm? -99.55 149.21 35.67 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.758 176.688 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 77' ' ' PRO . . . . . 0.411 ' O ' ' HB3' ' A' ' 72' ' ' GLN . 96.8 Cg_endo -81.29 15.18 1.94 Allowed 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.873 2.382 . . . . 0.0 111.68 178.244 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -151.53 -167.38 2.78 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.071 -174.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.769 HG21 ' HB ' ' A' ' 65' ' ' VAL . 2.4 p -59.04 -28.41 38.69 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -177.208 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.61 ' HB3' ' HG ' ' B' ' 76' ' ' LEU . . . -50.86 -37.46 43.41 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 113.296 0.85 . . . . 0.0 113.296 -174.452 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 81' ' ' GLN . . . . . 0.823 ' HB3' ' H ' ' B' ' 76' ' ' LEU . 3.3 pt20 -69.86 -35.39 74.66 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.862 -177.125 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 82' ' ' ARG . . . . . 0.515 ' N ' ' HG3' ' B' ' 81' ' ' GLN . 34.8 ttm180 -68.49 -18.42 64.39 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.608 0.718 . . . . 0.0 110.134 -177.241 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 0.558 HD13 ' CD2' ' A' ' 55' ' ' PHE . 32.7 tp -83.35 -44.37 14.93 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.052 -0.977 . . . . 0.0 110.924 -176.201 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 51.9 mtm -60.42 -37.33 80.56 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.909 0.385 . . . . 0.0 110.731 178.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 85' ' ' GLN . . . . . 0.484 ' O ' ' HG2' ' B' ' 89' ' ' GLU . 3.0 tt0 -71.96 -39.13 69.58 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.33 179.038 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 86' ' ' HIS . . . . . 0.552 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 46.8 t60 -63.19 -29.14 70.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.733 179.494 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.779 HD22 HG12 ' B' ' 92' ' ' ILE . 64.1 mt -86.32 -47.3 9.5 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.846 179.469 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.02 -38.95 54.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.513 -0.767 . . . . 0.0 112.103 -178.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' B' ' 85' ' ' GLN . 6.2 mm-40 -60.84 -29.12 69.31 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 72.1 m80 -102.43 2.08 36.09 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.4 0.518 . . . . 0.0 112.4 -172.32 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 83.55 29.58 32.35 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 120.541 -0.838 . . . . 0.0 113.514 175.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 92' ' ' ILE . . . . . 0.779 HG12 HD22 ' B' ' 87' ' ' LEU . 1.6 mp -59.51 141.77 15.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.785 0.326 . . . . 0.0 111.499 174.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -93.6 112.95 58.92 Favored Pre-proline 0 CA--C 1.532 0.273 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.254 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 94' ' ' PRO . . . . . 0.518 ' HA ' ' NE2' ' A' ' 42' ' ' GLN . 59.9 Cg_endo -74.16 143.66 32.42 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.42 2.08 . . . . 0.0 112.522 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 95' ' ' ALA . . . . . 0.52 ' HB3' ' HB3' ' A' ' 39' ' ' SER . . . -106.0 -4.21 20.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.803 179.545 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 62.57 -83.15 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.273 -178.213 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -150.65 22.89 0.8 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.314 0.578 . . . . 0.0 110.361 179.119 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 98' ' ' MET . . . . . . . . . . . . . 24.1 mmt -81.54 113.57 19.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.955 177.303 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -98.53 -173.02 2.44 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.215 -177.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 100' ' ' GLU . . . . . 0.42 ' HB3' HG13 ' B' ' 102' ' ' ILE . 2.9 mp0 70.4 166.31 0.29 Allowed 'General case' 0 N--CA 1.463 0.222 0 O-C-N 124.064 0.852 . . . . 0.0 111.738 -177.033 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 101' ' ' HIS . . . . . 0.589 ' NE2' HG21 ' A' ' 22' ' ' VAL . 34.1 m-70 -135.87 33.7 2.91 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.135 -177.426 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 102' ' ' ILE . . . . . 0.42 HG13 ' HB3' ' B' ' 100' ' ' GLU . 71.1 mt -72.05 118.25 65.41 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 114.931 -1.032 . . . . 0.0 112.085 -172.574 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -90.01 116.21 0.62 Allowed 'Trans proline' 0 N--CA 1.45 -1.054 0 C-N-CA 123.188 2.592 . . . . 0.0 110.415 169.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 104' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -91.15 135.78 1.88 Allowed 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 122.736 2.291 . . . . 0.0 113.488 -174.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -86.29 120.38 72.22 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 173.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 106' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -75.6 52.8 3.39 Favored 'Trans proline' 0 CA--C 1.531 0.339 0 C-N-CA 123.011 2.474 . . . . 0.0 113.902 -173.139 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 60.71 96.83 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.231 0.612 . . . . 0.0 111.339 175.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 63.2 p-90 . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.939 -0.553 . . . . 0.0 110.39 178.787 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.848 0 N-CA-C 111.585 -0.606 . . . . 0.0 111.585 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 43.8 p-80 -129.81 124.14 32.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.209 0.528 . . . . 0.0 111.104 -178.037 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 66.6 mtm -135.01 80.16 1.83 Allowed 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 171.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 45.8 m -71.74 84.49 0.9 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.509 -0.769 . . . . 0.0 112.03 -174.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -100.27 -148.77 22.89 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 171.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -111.7 -166.61 1.09 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.775 0.288 . . . . 0.0 110.861 178.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.64 ' HB3' ' HA3' ' A' ' 61' ' ' GLY . 55.0 mttp -65.24 -18.77 65.58 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -171.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.746 ' HD2' HG23 ' A' ' 9' ' ' VAL . 26.2 p-80 -140.72 169.92 16.73 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 176.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.746 HG23 ' HD2' ' A' ' 8' ' ' HIS . 42.8 t 81.67 -37.98 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 N-CA-C 109.001 -0.741 . . . . 0.0 109.001 -178.186 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.0 m -48.63 124.71 8.72 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 163.074 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 68.3 m80 -59.13 90.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.347 0.594 . . . . 0.0 112.375 -170.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.784 HG22 HD11 ' A' ' 62' ' ' LEU . 20.7 t -53.52 -34.57 23.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 114.737 -1.119 . . . . 0.0 111.768 176.124 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 112.24 36.54 1.61 Allowed Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 110.202 -1.159 . . . . 0.0 110.202 -170.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.573 ' CZ2' ' HA ' ' A' ' 16' ' ' PRO . 55.0 t90 -126.7 129.41 48.37 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.462 -0.369 . . . . 0.0 110.536 -176.466 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.621 ' HB2' ' HB3' ' A' ' 18' ' ' ASN . 24.1 m-20 -107.88 129.18 24.5 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.615 174.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.573 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 51.2 Cg_exo -54.37 -24.58 35.64 Favored 'Trans proline' 0 N--CA 1.475 0.438 0 C-N-CA 123.835 3.023 . . . . 0.0 114.149 -174.167 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -104.11 -38.5 6.9 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.989 0.423 . . . . 0.0 111.341 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.621 ' HB3' ' HB2' ' A' ' 15' ' ' ASP . 9.0 t30 -86.65 -35.37 19.39 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.844 -172.192 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.16 -165.94 12.58 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.37 -178.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.478 ' HE2' ' HB ' ' A' ' 52' ' ' ILE . 63.3 m-85 -74.82 147.11 41.47 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.79 0.329 . . . . 0.0 110.484 178.562 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -76.53 94.96 3.79 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 174.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.689 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 7.3 p -67.51 -23.96 30.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.165 -0.47 . . . . 0.0 112.093 -170.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -90.34 -5.36 56.32 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.848 0.356 . . . . 0.0 111.056 178.195 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -121.73 25.08 9.44 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.1 0.476 . . . . 0.0 110.267 172.039 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.689 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 11.3 mt -66.12 121.62 15.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.432 -179.459 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -56.38 127.95 72.56 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.58 -0.737 . . . . 0.0 109.675 172.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.432 ' O ' ' HB2' ' A' ' 30' ' ' ARG . 65.8 Cg_exo -51.76 -30.98 39.84 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 124.007 3.138 . . . . 0.0 113.766 -175.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.1 -42.92 65.56 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 178.295 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.551 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 82.5 mt -62.96 -40.56 98.05 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.486 174.728 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.432 ' HB2' ' O ' ' A' ' 27' ' ' PRO . 74.2 mtt180 -51.32 -50.26 59.74 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.21 174.779 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.1 t -58.59 -49.05 78.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.01 -0.996 . . . . 0.0 110.655 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.614 HD13 HG13 ' B' ' 79' ' ' VAL . 49.2 tp -65.95 -52.03 53.28 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.294 -173.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.551 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 19.6 m-30 -63.45 -41.51 98.64 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.243 -171.38 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.1 t -62.36 -36.72 83.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.302 0.573 . . . . 0.0 110.294 177.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.8 mtt180 -69.23 -36.07 76.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.896 175.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.01 0.03 29.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.567 -176.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.52 -11.08 71.16 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 121.051 -0.595 . . . . 0.0 111.911 177.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.756 HD13 HD13 ' A' ' 52' ' ' ILE . 41.5 mt -65.16 119.73 10.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 C-N-CA 122.953 0.501 . . . . 0.0 110.869 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.477 ' HB3' ' CB ' ' B' ' 95' ' ' ALA . 44.0 t -99.38 174.9 6.06 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.122 177.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.506 ' HG3' HG21 ' A' ' 22' ' ' VAL . 47.1 tt0 -49.29 -42.15 40.3 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.126 0.489 . . . . 0.0 110.923 178.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.626 ' HB1' HG12 ' B' ' 102' ' ' ILE . . . -57.9 -52.82 63.93 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.172 -179.038 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.672 ' HG3' ' HB2' ' B' ' 95' ' ' ALA . 46.4 mt-30 -59.45 -36.82 76.68 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.887 -178.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.62 HD13 HD11 ' A' ' 25' ' ' LEU . 93.5 mt -68.29 -20.87 64.8 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.794 178.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.8 p -110.66 18.16 19.95 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.471 0.653 . . . . 0.0 110.03 177.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -95.79 138.62 33.18 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.938 175.092 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.26 -65.79 0.59 Allowed 'General case' 0 C--N 1.318 -0.795 0 O-C-N 123.501 0.501 . . . . 0.0 111.609 -174.175 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.434 ' H ' ' CD ' ' A' ' 47' ' ' GLU . 0.8 OUTLIER -65.86 -41.13 92.05 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.902 -175.905 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.668 HG21 ' HB3' ' A' ' 42' ' ' GLN . 17.5 m -59.61 -58.02 10.42 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -178.466 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 92.5 p -62.87 -34.67 77.86 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.792 0.33 . . . . 0.0 110.581 -176.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.534 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 88.6 tttt -57.39 -44.42 84.49 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.199 176.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.8 HD23 HD11 ' B' ' 92' ' ' ILE . 1.7 mm? -75.54 -35.84 60.61 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 179.476 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.756 HD13 HD13 ' A' ' 38' ' ' ILE . 43.9 mt -59.08 -49.8 82.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.824 177.039 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -66.0 -39.64 90.48 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.546 -0.461 . . . . 0.0 110.132 177.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.405 ' HB3' ' HA ' ' A' ' 51' ' ' LEU . 17.7 t70 -56.41 -38.8 72.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.306 176.141 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.62 ' HB2' ' CD2' ' B' ' 86' ' ' HIS . 48.0 t80 -62.58 -50.93 69.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.869 175.693 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 72.3 mt -62.12 -40.74 88.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.632 -178.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.403 ' HG3' ' CG ' ' A' ' 8' ' ' HIS . 23.7 tt0 -68.39 -35.02 77.07 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.607 178.012 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -63.3 -32.07 73.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.256 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 49.2 mm-40 -81.31 -6.12 58.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.149 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.76 -28.16 6.84 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.001 -178.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.64 ' HA3' ' HB3' ' A' ' 7' ' ' LYS . . . 152.37 -172.05 31.58 Favored Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 120.453 -0.88 . . . . 0.0 112.818 177.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.784 HD11 HG22 ' A' ' 12' ' ' VAL . 8.6 mp -56.82 -54.92 40.92 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 122.788 0.435 . . . . 0.0 111.833 -175.787 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.685 ' HA ' ' HD3' ' A' ' 66' ' ' ARG . 32.4 mt-10 -63.4 -24.39 67.82 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.134 -175.198 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.91 -49.32 73.14 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.602 -177.314 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.975 ' HA ' ' HG3' ' A' ' 68' ' ' GLU . 4.1 m -72.48 -21.55 20.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.225 0 CA-C-O 121.269 0.557 . . . . 0.0 110.409 -178.549 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.685 ' HD3' ' HA ' ' A' ' 63' ' ' GLU . 73.8 mtp180 -73.21 -26.0 60.97 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.716 177.346 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.5 ' HG3' ' O ' ' A' ' 63' ' ' GLU . 77.3 mt-30 -81.34 -27.31 35.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.71 176.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.975 ' HG3' ' HA ' ' A' ' 65' ' ' VAL . 6.2 mt-10 -64.4 -24.19 67.55 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 175.236 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.431 ' HB2' ' O ' ' A' ' 66' ' ' ARG . 38.1 mtt -61.19 -33.4 73.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.843 174.329 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -109.46 21.32 17.18 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.301 0.572 . . . . 0.0 109.805 178.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.656 ' HB3' ' HA ' ' A' ' 68' ' ' GLU . 8.2 tmm_? -129.4 -78.68 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.36 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.468 ' HB2' ' O ' ' A' ' 71' ' ' ARG . 58.8 tp60 . . . . . 0 C--O 1.251 1.17 0 CA-C-O 117.996 -1.002 . . . . 0.0 108.685 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.866 0 N-CA-C 111.721 -0.552 . . . . 0.0 111.721 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 74' ' ' HIS . . . . . 1.019 ' HB2' ' HB2' ' B' ' 81' ' ' GLN . 28.0 m170 -136.24 173.42 11.73 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 177.128 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 75' ' ' MET . . . . . 0.494 ' C ' HD22 ' B' ' 76' ' ' LEU . 53.1 mtm -80.22 26.6 0.35 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -172.558 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 76' ' ' LEU . . . . . 0.542 ' HB2' ' HB3' ' B' ' 81' ' ' GLN . 3.8 mm? -126.86 124.36 24.0 Favored Pre-proline 0 C--N 1.328 -0.368 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 -179.447 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -83.92 20.65 1.16 Allowed 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 122.973 2.449 . . . . 0.0 112.335 -178.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -143.59 -169.65 3.12 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.559 -175.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.614 HG13 HD13 ' A' ' 32' ' ' LEU . 2.6 p -54.63 -17.41 2.13 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 CA-C-N 115.498 -0.773 . . . . 0.0 112.577 178.553 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.84 -38.69 89.15 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -177.101 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 81' ' ' GLN . . . . . 1.019 ' HB2' ' HB2' ' B' ' 74' ' ' HIS . 6.4 pt20 -71.56 -23.88 61.83 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-O 121.707 0.765 . . . . 0.0 109.484 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 82' ' ' ARG . . . . . 0.42 ' HG2' ' HE1' ' A' ' 55' ' ' PHE . 64.7 ttt180 -78.21 -15.79 58.47 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.504 -1.226 . . . . 0.0 110.112 -177.73 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 0.559 HD13 ' CD1' ' A' ' 38' ' ' ILE . 0.5 OUTLIER -82.43 -40.99 20.44 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.434 -179.813 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 59.6 mtt -57.94 -41.19 82.29 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.003 177.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -60.74 -33.33 72.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.038 178.51 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 86' ' ' HIS . . . . . 0.62 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 46.8 t60 -84.02 -18.26 37.7 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.885 -172.102 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.604 HD12 HG13 ' B' ' 92' ' ' ILE . 0.3 OUTLIER -89.56 -37.8 14.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.136 0.493 . . . . 0.0 109.868 173.238 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.65 -14.75 61.85 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.007 -178.086 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.8 ' HG3' ' CD2' ' B' ' 90' ' ' HIS . 9.5 pt-20 -93.38 -2.64 54.51 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -177.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 90' ' ' HIS . . . . . 0.8 ' CD2' ' HG3' ' B' ' 89' ' ' GLU . 94.0 m-70 -131.33 23.92 4.82 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -178.641 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.8 39.42 87.43 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.92 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 92' ' ' ILE . . . . . 0.8 HD11 HD23 ' A' ' 51' ' ' LEU . 29.2 mm -79.88 148.67 5.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 120.745 0.307 . . . . 0.0 110.983 -176.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -87.16 124.8 67.89 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.695 -178.068 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 94' ' ' PRO . . . . . 0.46 ' HA ' ' NE2' ' A' ' 42' ' ' GLN . 55.0 Cg_endo -88.44 149.44 6.42 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 122.988 2.459 . . . . 0.0 112.233 176.308 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 95' ' ' ALA . . . . . 0.672 ' HB2' ' HG3' ' A' ' 42' ' ' GLN . . . -99.43 8.36 44.66 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.332 -177.74 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 96' ' ' ARG . . . . . 0.501 ' HD3' ' HA ' ' B' ' 96' ' ' ARG . 8.7 mmt180 -79.21 -9.19 59.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.325 0.583 . . . . 0.0 110.117 174.183 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -118.92 163.65 16.6 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.158 -1.052 . . . . 0.0 108.158 169.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 98' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -90.42 132.7 35.47 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.814 0.34 . . . . 0.0 110.736 -174.207 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 99' ' ' ALA . . . . . 0.699 ' H ' ' HB ' ' B' ' 102' ' ' ILE . . . -142.02 -170.91 3.25 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.196 178.306 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -39.35 -67.93 0.19 Allowed 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -171.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 101' ' ' HIS . . . . . 0.438 ' HE1' ' O ' ' A' ' 41' ' ' ALA . 22.1 p80 -108.02 22.92 15.27 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.855 0.36 . . . . 0.0 110.684 -177.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 102' ' ' ILE . . . . . 0.699 ' HB ' ' H ' ' B' ' 99' ' ' ALA . 42.2 mt -98.94 111.36 60.51 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.57 -178.309 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 103' ' ' PRO . . . . . 0.41 ' HA ' ' HD2' ' B' ' 104' ' ' PRO . 35.6 Cg_exo -60.18 120.28 7.96 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 122.688 2.259 . . . . 0.0 111.794 178.603 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 104' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' B' ' 103' ' ' PRO . 18.1 Cg_endo -60.51 114.37 2.1 Favored 'Trans proline' 0 N--CA 1.463 -0.269 0 C-N-CA 122.718 2.278 . . . . 0.0 111.914 -179.513 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 105' ' ' ALA . . . . . 0.461 ' HA ' ' HD3' ' B' ' 106' ' ' PRO . . . -72.82 121.87 86.13 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.433 179.347 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 106' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' B' ' 105' ' ' ALA . 21.8 Cg_exo -65.81 146.82 84.43 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.889 2.393 . . . . 0.0 112.214 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -100.5 25.11 8.06 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.713 178.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 65.7 m95 . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.467 -0.777 . . . . 0.0 109.992 -178.607 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.667 0 N-CA-C 112.021 -0.431 . . . . 0.0 112.021 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -96.19 -42.13 8.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.974 0.416 . . . . 0.0 110.493 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 63.8 mtt -136.57 134.27 37.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.138 178.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.6 p -87.56 127.59 35.26 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.726 0.298 . . . . 0.0 110.57 174.491 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -144.71 162.99 28.02 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.098 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.414 ' O ' ' HB3' ' A' ' 7' ' ' LYS . 46.8 t80 -109.49 -44.74 3.82 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 -179.454 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.414 ' HB3' ' O ' ' A' ' 6' ' ' PHE . 38.3 ttmt 76.13 136.95 0.06 Allowed 'General case' 0 C--O 1.235 0.323 0 O-C-N 124.153 0.908 . . . . 0.0 111.292 179.042 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 15.0 t-160 -73.62 73.44 1.48 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.122 -0.945 . . . . 0.0 111.253 -179.343 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.7 t -107.2 82.84 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 107.213 -1.403 . . . . 0.0 107.213 172.096 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.752 ' HB3' ' OH ' ' A' ' 53' ' ' TYR . 19.4 m -35.9 88.58 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 O-C-N 124.796 1.31 . . . . 0.0 114.349 -164.09 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.5 m80 -152.4 -48.48 0.1 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.528 -1.215 . . . . 0.0 107.892 171.459 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.746 HG13 HD21 ' A' ' 62' ' ' LEU . 47.1 t 70.4 -21.89 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 CA-C-N 115.111 -0.949 . . . . 0.0 113.441 166.402 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 99.72 19.44 20.02 Favored Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 -171.485 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.431 ' CZ2' ' HA ' ' A' ' 16' ' ' PRO . 38.3 t90 -108.5 139.35 43.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.619 -0.79 . . . . 0.0 110.462 -177.544 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.638 ' HB3' ' HB2' ' A' ' 18' ' ' ASN . 15.2 t70 -110.84 137.95 20.97 Favored Pre-proline 0 C--N 1.323 -0.587 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 174.648 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.448 ' HD2' ' CG ' ' A' ' 15' ' ' ASP . 80.4 Cg_exo -28.57 -75.0 0.03 OUTLIER 'Trans proline' 0 CA--C 1.533 0.456 0 C-N-CA 125.228 3.952 . . . . 0.0 115.101 -174.44 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -105.94 -0.82 24.72 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 -179.237 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.638 ' HB2' ' HB3' ' A' ' 15' ' ' ASP . 47.8 m-80 -90.44 -19.98 23.29 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.764 0.316 . . . . 0.0 111.253 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.808 ' HA3' ' HA ' ' A' ' 44' ' ' THR . . . 91.56 -163.74 28.78 Favored Glycine 0 N--CA 1.442 -0.945 0 C-N-CA 120.61 -0.805 . . . . 0.0 113.434 174.752 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.493 ' HB2' ' HG ' ' A' ' 43' ' ' LEU . 56.9 m-85 -84.74 145.61 27.83 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 179.668 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -74.53 103.38 4.84 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 177.004 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.652 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 17.5 m -72.03 -4.69 5.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.419 -175.328 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -85.64 -41.11 15.49 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.694 -0.23 . . . . 0.0 110.616 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -110.72 35.63 3.42 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.205 0.526 . . . . 0.0 111.243 177.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.652 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 13.8 mt -65.1 133.75 52.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.835 176.782 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.421 ' HB3' HD12 ' A' ' 29' ' ' LEU . 12.7 t70 -65.3 133.78 95.58 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.682 173.498 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 26' ' ' ASP . 85.7 Cg_exo -49.15 -34.72 31.41 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 124.29 3.327 . . . . 0.0 114.323 -177.247 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -79.82 -41.01 27.26 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.404 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.454 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 96.1 mt -59.4 -48.24 82.4 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 109.595 -0.521 . . . . 0.0 109.595 172.209 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -53.12 -49.1 67.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.862 178.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.3 t -61.34 -48.21 82.34 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.146 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.582 HD21 ' HB ' ' B' ' 79' ' ' VAL . 61.9 tp -63.2 -55.35 25.8 Favored 'General case' 0 CA--C 1.51 -0.596 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -174.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.499 ' HZ ' HD11 ' A' ' 56' ' ' ILE . 20.1 m-30 -57.46 -46.25 83.87 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.105 -173.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.1 t -62.37 -34.06 75.96 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.733 177.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 35.3 ttt180 -76.67 -28.62 56.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.227 0.537 . . . . 0.0 110.634 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.4 ' O ' ' HG2' ' B' ' 84' ' ' MET . . . -83.84 -10.1 58.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.192 -177.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 113.09 -18.36 21.46 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.232 178.122 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.914 HG12 HD11 ' A' ' 52' ' ' ILE . 4.2 mp -72.25 121.12 21.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 78.8 p -92.58 178.16 5.89 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 176.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -60.53 -37.72 82.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.327 0.584 . . . . 0.0 109.864 177.508 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.423 ' HB1' ' CB ' ' B' ' 99' ' ' ALA . . . -65.32 -55.49 17.96 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.606 177.321 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.843 ' HG2' HG21 ' A' ' 48' ' ' THR . 13.2 tt0 -59.99 -33.92 72.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.151 0.5 . . . . 0.0 110.577 -177.681 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.493 ' HG ' ' HB2' ' A' ' 20' ' ' PHE . 23.3 tp -67.26 -17.74 64.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.277 -178.781 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.808 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 18.9 p -111.82 13.01 20.98 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.99 0.424 . . . . 0.0 110.915 179.25 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.56 151.18 26.52 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.979 174.351 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.33 -65.57 0.58 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -172.469 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.597 ' H ' ' CD ' ' A' ' 47' ' ' GLU . 1.0 OUTLIER -74.91 -33.4 62.0 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.337 -173.392 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.843 HG21 ' HG2' ' A' ' 42' ' ' GLN . 7.8 m -60.64 -58.89 6.54 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.505 ' CB ' ' HA2' ' A' ' 19' ' ' GLY . 80.9 p -64.04 -39.73 94.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.258 -173.539 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -57.07 -39.19 74.48 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.692 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.437 HD12 HD11 ' B' ' 92' ' ' ILE . 29.6 mt -74.71 -39.05 62.16 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.066 178.298 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.914 HD11 HG12 ' A' ' 38' ' ' ILE . 69.5 mt -58.16 -44.63 88.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.794 0.33 . . . . 0.0 111.524 175.159 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.752 ' OH ' ' HB3' ' A' ' 10' ' ' SER . 46.4 t80 -60.57 -48.11 83.2 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.841 0.353 . . . . 0.0 110.724 178.681 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -59.5 -39.7 84.66 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.357 0.599 . . . . 0.0 110.536 174.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.93 ' HE1' ' HG3' ' B' ' 82' ' ' ARG . 51.9 t80 -55.3 -56.85 15.28 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.902 176.472 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.627 HG23 HG21 ' A' ' 65' ' ' VAL . 80.2 mt -57.55 -35.56 50.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.358 -177.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -73.18 -21.01 60.76 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.351 -178.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.402 ' HB3' ' O ' ' A' ' 55' ' ' PHE . 29.6 t70 -69.66 -36.72 76.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.021 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -80.58 -5.89 57.47 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.856 -0.338 . . . . 0.0 111.246 178.513 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.92 -24.83 8.18 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.51 -0.852 . . . . 0.0 112.305 178.488 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 145.05 -173.8 25.36 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.089 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.746 HD21 HG13 ' A' ' 12' ' ' VAL . 10.5 mp -64.01 -42.71 97.05 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -174.517 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.8 mp0 -54.36 -44.8 72.49 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.753 0.311 . . . . 0.0 111.2 178.604 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.44 -42.7 78.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -177.092 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.627 HG21 HG23 ' A' ' 56' ' ' ILE . 46.3 t -63.04 -38.0 80.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.465 -177.049 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.511 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 50.4 mtp180 -64.5 -28.4 69.63 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.855 179.51 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.446 ' O ' ' HB2' ' A' ' 71' ' ' ARG . 78.4 mt-30 -86.23 -32.58 21.09 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.594 -175.36 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.584 ' HB2' HG22 ' B' ' 79' ' ' VAL . 6.6 mm-40 -47.87 -32.89 6.74 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 123.83 0.706 . . . . 0.0 111.576 -178.498 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.4 ' HE2' ' HB2' ' A' ' 32' ' ' LEU . 47.8 mtt -49.89 -38.48 35.94 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.36 -178.587 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.17 27.3 5.38 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.043 -0.981 . . . . 0.0 109.977 -178.348 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.454 ' HB3' ' HA ' ' A' ' 68' ' ' GLU . 1.7 ttp180 -120.62 -86.16 0.65 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.246 -177.455 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.406 ' HB2' ' O ' ' B' ' 77' ' ' PRO . 49.2 tp60 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.135 -0.936 . . . . 0.0 111.343 -175.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.612 0 N-CA-C 111.884 -0.486 . . . . 0.0 111.884 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 74' ' ' HIS . . . . . 0.519 ' HD2' ' HB3' ' B' ' 81' ' ' GLN . 22.8 p-80 -59.16 141.35 54.41 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 110.467 -0.197 . . . . 0.0 110.467 179.29 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 75' ' ' MET . . . . . 0.687 ' HB3' ' HG3' ' B' ' 81' ' ' GLN . 49.0 ttm -40.53 -73.34 0.05 OUTLIER 'General case' 0 N--CA 1.474 0.747 0 O-C-N 124.136 0.898 . . . . 0.0 112.76 -170.663 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 76' ' ' LEU . . . . . 0.961 ' HB2' ' HB2' ' B' ' 81' ' ' GLN . 3.5 mm? -62.71 130.6 93.84 Favored Pre-proline 0 C--N 1.315 -0.931 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 173.029 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 77' ' ' PRO . . . . . 0.406 ' O ' ' HB2' ' A' ' 72' ' ' GLN . 74.8 Cg_endo -81.07 14.43 2.1 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 122.928 2.418 . . . . 0.0 112.242 -173.338 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -141.18 -168.31 2.59 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.56 -174.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.679 HG12 ' CZ ' ' A' ' 55' ' ' PHE . 0.0 OUTLIER -52.3 -27.56 10.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 114.888 -1.051 . . . . 0.0 112.728 178.346 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.436 ' O ' ' HG3' ' B' ' 84' ' ' MET . . . -53.2 -58.72 6.07 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -175.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 81' ' ' GLN . . . . . 0.961 ' HB2' ' HB2' ' B' ' 76' ' ' LEU . 1.2 tm0? -73.6 -26.6 60.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.339 0.59 . . . . 0.0 109.993 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 82' ' ' ARG . . . . . 0.93 ' HG3' ' HE1' ' A' ' 55' ' ' PHE . 11.1 tpt180 -64.07 -29.95 71.05 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.188 -0.914 . . . . 0.0 109.541 177.425 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 0.692 ' HG ' ' CE2' ' A' ' 55' ' ' PHE . 1.8 mt -76.13 -45.16 35.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.347 175.43 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 84' ' ' MET . . . . . 0.436 ' HG3' ' O ' ' B' ' 80' ' ' ALA . 63.3 mtt -51.95 -48.68 64.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.913 -178.212 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -67.48 -28.07 67.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.952 179.511 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 24.6 t-80 -73.59 -28.57 61.9 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.197 -175.603 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.653 HD12 HG13 ' B' ' 92' ' ' ILE . 2.3 mm? -92.11 -46.09 7.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.912 0.387 . . . . 0.0 111.141 177.354 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.24 -31.22 71.02 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -172.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -82.57 2.13 34.68 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -176.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 51.8 m80 -125.56 15.68 8.19 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.404 -0.519 . . . . 0.0 111.716 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 59.92 38.27 93.87 Favored Glycine 0 C--N 1.329 0.188 0 C-N-CA 120.955 -0.64 . . . . 0.0 112.565 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 92' ' ' ILE . . . . . 0.653 HG13 HD12 ' B' ' 87' ' ' LEU . 22.5 mm -69.33 146.56 12.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 120.829 0.347 . . . . 0.0 111.351 -177.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -61.8 123.48 77.44 Favored Pre-proline 0 C--N 1.333 -0.151 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.391 178.203 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 94' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -75.68 150.81 35.81 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 122.338 2.025 . . . . 0.0 112.358 179.366 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 95' ' ' ALA . . . . . 0.644 ' HB2' ' HB2' ' A' ' 42' ' ' GLN . . . -74.0 79.68 1.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.867 178.662 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 96' ' ' ARG . . . . . 0.439 ' HG3' ' H ' ' B' ' 97' ' ' ASN . 0.6 OUTLIER -170.0 171.59 6.97 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.266 -178.039 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 97' ' ' ASN . . . . . 0.439 ' H ' ' HG3' ' B' ' 96' ' ' ARG . 12.6 m120 68.65 -90.32 0.03 OUTLIER 'General case' 0 C--O 1.233 0.211 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 173.244 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 98' ' ' MET . . . . . . . . . . . . . 23.1 ptm -142.9 126.57 16.98 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.155 0.502 . . . . 0.0 110.758 -174.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 99' ' ' ALA . . . . . 0.423 ' CB ' ' HB1' ' A' ' 41' ' ' ALA . . . -129.18 40.5 3.61 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.71 -178.355 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -79.3 60.04 3.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.6 0.714 . . . . 0.0 110.847 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -99.8 7.15 45.22 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.758 -178.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 102' ' ' ILE . . . . . 0.407 ' HA ' ' HD3' ' B' ' 103' ' ' PRO . 66.8 mt -89.32 119.27 69.66 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.51 -176.327 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 103' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' B' ' 102' ' ' ILE . 15.1 Cg_exo -69.1 122.19 9.04 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.768 2.312 . . . . 0.0 111.365 176.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 104' ' ' PRO . . . . . 0.444 ' O ' ' HD3' ' B' ' 106' ' ' PRO . 32.6 Cg_endo -64.47 123.26 11.49 Favored 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 122.545 2.163 . . . . 0.0 112.059 -179.463 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -88.05 106.55 12.45 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.818 176.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 106' ' ' PRO . . . . . 0.444 ' HD3' ' O ' ' B' ' 104' ' ' PRO . 97.1 Cg_endo -88.96 135.85 2.88 Favored 'Trans proline' 0 N--CA 1.453 -0.877 0 C-N-CA 122.906 2.404 . . . . 0.0 113.065 -174.602 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -83.79 125.85 32.34 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.566 174.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 76.8 m95 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.505 -0.76 . . . . 0.0 110.189 -178.55 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.649 0 N-CA-C 111.846 -0.501 . . . . 0.0 111.846 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 33.9 t-80 -80.48 -32.57 37.05 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.014 0.435 . . . . 0.0 110.067 179.053 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 55.2 ttp -123.41 -38.54 2.54 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.94 176.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.9 p -84.43 145.35 28.21 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.541 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 165.59 -177.55 40.79 Favored Glycine 0 N--CA 1.444 -0.819 0 N-CA-C 111.427 -0.669 . . . . 0.0 111.427 -179.082 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -104.19 105.42 15.57 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 -179.277 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.7 pttt -71.05 84.1 0.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.953 0.882 . . . . 0.0 111.892 -176.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.552 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 0.9 OUTLIER -151.8 166.88 30.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.169 -1.378 . . . . 0.0 108.707 173.056 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.552 ' HB ' ' O ' ' A' ' 8' ' ' HIS . 14.6 p 164.85 -28.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 177.18 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.539 ' C ' ' H ' ' A' ' 12' ' ' VAL . 50.4 m -57.72 -28.13 63.59 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 113.201 -1.818 . . . . 0.0 112.637 178.258 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.529 ' O ' HG12 ' A' ' 12' ' ' VAL . 39.5 m80 69.23 -8.35 0.72 Allowed 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.35 0.66 . . . . 0.0 110.411 -169.659 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.539 ' H ' ' C ' ' A' ' 10' ' ' SER . 0.8 OUTLIER 59.59 9.34 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 C-N-CA 125.064 1.345 . . . . 0.0 113.162 173.1 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.72 18.51 58.2 Favored Glycine 0 N--CA 1.453 -0.191 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.716 -178.408 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.556 ' CZ2' ' HA ' ' A' ' 16' ' ' PRO . 64.4 t90 -105.89 135.54 47.14 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.04 0.448 . . . . 0.0 111.34 -178.54 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.688 ' HB3' ' HB2' ' A' ' 18' ' ' ASN . 9.8 t70 -117.42 135.63 23.26 Favored Pre-proline 0 C--N 1.322 -0.592 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 173.279 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.556 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 10.9 Cg_endo -53.63 -29.98 53.35 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 123.602 2.868 . . . . 0.0 113.923 -175.486 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -106.28 -42.3 5.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.661 0.267 . . . . 0.0 111.672 179.118 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.688 ' HB2' ' HB3' ' A' ' 15' ' ' ASP . 2.7 m-20 -76.82 -26.49 54.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.684 -174.436 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 91.59 -157.56 24.69 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.899 -0.667 . . . . 0.0 111.782 -177.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.641 ' HB2' ' HB3' ' A' ' 43' ' ' LEU . 60.6 m-85 -77.51 122.16 24.86 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 175.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -68.33 105.79 2.27 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 178.348 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.652 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 17.5 m -69.24 -11.59 15.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.472 -172.65 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -82.74 -39.92 21.23 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.343 0.592 . . . . 0.0 110.21 176.193 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -96.58 16.21 19.45 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.633 -177.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.652 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 26.0 mt -66.18 124.35 22.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.006 0.431 . . . . 0.0 111.443 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.424 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 8.1 t70 -64.84 130.23 94.73 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 115.422 -0.808 . . . . 0.0 108.975 172.257 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 26' ' ' ASP . 77.6 Cg_exo -51.78 -29.93 35.95 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 123.774 2.982 . . . . 0.0 113.735 -178.001 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.681 ' HB3' HH21 ' A' ' 66' ' ' ARG . 32.0 t70 -77.07 -41.51 42.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.891 0.377 . . . . 0.0 110.116 -179.378 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.418 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 96.0 mt -63.4 -47.51 81.7 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 121.172 0.51 . . . . 0.0 109.777 172.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -56.73 -38.92 73.04 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.964 179.009 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.2 t -56.15 -48.02 77.09 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.091 177.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.493 ' CD1' HG13 ' B' ' 79' ' ' VAL . 61.6 tp -67.05 -51.97 48.02 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.249 -177.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.437 ' HB3' HD21 ' A' ' 43' ' ' LEU . 14.9 m-30 -60.8 -42.59 97.93 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.653 -174.348 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.5 t -65.96 -32.39 73.85 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.461 177.503 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -76.57 -26.45 55.1 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.437 0.637 . . . . 0.0 110.043 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.17 -3.99 56.08 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.882 179.375 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.25 -7.54 80.44 Favored Glycine 0 N--CA 1.453 -0.201 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.299 179.277 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.727 HD13 HD11 ' A' ' 52' ' ' ILE . 20.3 mt -76.06 111.33 12.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 120.955 0.407 . . . . 0.0 110.683 -179.084 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 67.9 p -75.97 167.06 22.57 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.852 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.47 ' HB3' HG11 ' A' ' 22' ' ' VAL . 1.9 mp0 -53.27 -45.69 68.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.074 0.464 . . . . 0.0 110.485 177.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.39 -42.98 99.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.75 179.332 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.897 ' HG2' HG21 ' A' ' 48' ' ' THR . 41.5 tt0 -62.05 -32.75 73.3 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.339 -178.45 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.653 ' O ' ' HB3' ' A' ' 49' ' ' SER . 68.8 mt -70.17 -17.46 63.17 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.452 178.729 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.1 p -98.78 5.41 47.53 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.107 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -76.06 132.37 40.06 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 170.021 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -50.75 -57.28 8.74 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.249 0.462 . . . . 0.0 112.249 -172.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.436 ' H ' ' CD ' ' A' ' 47' ' ' GLU . 1.5 pm0 -69.75 -44.85 69.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.369 -177.232 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.897 HG21 ' HG2' ' A' ' 42' ' ' GLN . 9.0 m -53.74 -51.97 61.64 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.786 0.327 . . . . 0.0 111.299 179.261 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.653 ' HB3' ' O ' ' A' ' 43' ' ' LEU . 60.2 p -65.22 -48.7 72.4 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.12 -178.241 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -57.47 -37.67 73.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.682 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.773 ' HA ' ' HB3' ' A' ' 54' ' ' ASP . 35.7 mt -85.39 -15.21 43.85 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -177.423 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.727 HD11 HD13 ' A' ' 38' ' ' ILE . 96.8 mt -78.23 -37.06 21.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 C-N-CA 120.13 -0.628 . . . . 0.0 109.934 167.122 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -65.21 -47.63 76.19 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 173.391 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.773 ' HB3' ' HA ' ' A' ' 51' ' ' LEU . 1.5 t70 -52.38 -36.95 55.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.482 171.338 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.807 ' HE1' ' HG3' ' B' ' 82' ' ' ARG . 60.3 t80 -66.58 -57.43 7.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.129 -179.578 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.407 ' CG2' ' HA ' ' A' ' 62' ' ' LEU . 84.6 mt -56.2 -41.31 69.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.423 -179.325 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -63.56 -50.19 70.46 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.393 -0.822 . . . . 0.0 111.079 175.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -54.21 -34.7 61.22 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.685 177.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.524 ' HG3' HG12 ' A' ' 65' ' ' VAL . 32.0 mm-40 -70.86 -11.71 61.12 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.929 0.395 . . . . 0.0 110.889 179.678 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 120.17 -0.92 13.07 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.748 -0.739 . . . . 0.0 113.141 178.386 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 133.79 -179.41 17.49 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.133 -1.032 . . . . 0.0 112.861 176.53 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.407 ' HA ' ' CG2' ' A' ' 56' ' ' ILE . 87.7 mt -58.68 -45.56 89.18 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -172.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -67.24 -25.13 65.94 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.327 0.492 . . . . 0.0 112.327 -176.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.423 ' O ' ' HG3' ' A' ' 68' ' ' GLU . . . -56.52 -61.08 2.66 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -170.001 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.606 ' HB ' HG21 ' B' ' 79' ' ' VAL . 1.4 m -65.02 -26.08 39.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.494 0.664 . . . . 0.0 110.689 -173.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.681 HH21 ' HB3' ' A' ' 28' ' ' ASP . 41.4 mtp180 -73.4 -26.09 60.83 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.03 -177.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -91.84 -22.28 20.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.317 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.742 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 13.6 mt-10 -68.5 -15.59 63.6 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 120.777 0.322 . . . . 0.0 111.122 -179.446 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 47.6 mtt -61.54 -24.79 66.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.323 0.582 . . . . 0.0 110.026 171.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 64.2 mtp180 -127.07 17.4 7.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.243 -0.889 . . . . 0.0 109.694 -177.094 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.742 ' HB3' ' HA ' ' A' ' 68' ' ' GLU . 55.5 ttt180 -99.78 -81.31 0.46 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.006 -176.089 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 . . . . . 0 C--O 1.246 0.897 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.229 -178.371 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.602 0 N-CA-C 111.794 -0.522 . . . . 0.0 111.794 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 74' ' ' HIS . . . . . 0.676 ' HA ' ' OE1' ' B' ' 85' ' ' GLN . 7.0 t-80 65.07 27.04 12.56 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 122.951 0.5 . . . . 0.0 110.5 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 75' ' ' MET . . . . . . . . . . . . . 22.1 ptp -177.69 146.07 0.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.509 -177.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 76' ' ' LEU . . . . . 0.877 ' HB3' ' HG3' ' B' ' 81' ' ' GLN . 13.6 tp -148.39 -76.33 0.02 OUTLIER Pre-proline 0 CA--C 1.546 0.793 0 CA-C-O 118.863 -0.589 . . . . 0.0 111.542 -174.754 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 77' ' ' PRO . . . . . 0.663 ' HD3' ' HG ' ' B' ' 76' ' ' LEU . 92.5 Cg_endo -84.72 -38.34 0.12 Allowed 'Trans proline' 0 C--N 1.356 0.941 0 CA-C-N 120.992 1.39 . . . . 0.0 112.708 175.465 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -165.92 -166.65 0.96 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.708 -175.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.606 HG21 ' HB ' ' A' ' 65' ' ' VAL . 2.5 p -54.18 -26.88 15.87 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 123.524 0.729 . . . . 0.0 112.572 178.432 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.646 ' O ' ' HG3' ' B' ' 84' ' ' MET . . . -48.3 -45.97 35.59 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -179.055 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 81' ' ' GLN . . . . . 0.877 ' HG3' ' HB3' ' B' ' 76' ' ' LEU . 32.3 mm-40 -64.39 -37.03 86.08 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.904 0.383 . . . . 0.0 111.223 -179.678 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 82' ' ' ARG . . . . . 0.807 ' HG3' ' HE1' ' A' ' 55' ' ' PHE . 0.8 OUTLIER -65.7 -30.47 71.15 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-O 121.562 0.696 . . . . 0.0 109.642 178.529 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 0.607 HD13 ' CD2' ' A' ' 55' ' ' PHE . 49.8 tp -81.03 -44.74 17.61 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.013 -0.994 . . . . 0.0 111.649 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 84' ' ' MET . . . . . 0.646 ' HG3' ' O ' ' B' ' 80' ' ' ALA . 54.8 mtt -48.36 -55.17 11.43 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 121.314 0.578 . . . . 0.0 110.922 -177.663 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 85' ' ' GLN . . . . . 0.676 ' OE1' ' HA ' ' B' ' 74' ' ' HIS . 42.3 mt-30 -69.12 -28.97 66.95 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.479 -178.15 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 44.0 t60 -59.02 -31.97 69.31 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.254 -177.26 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.574 HD12 HG12 ' B' ' 92' ' ' ILE . 1.5 mm? -83.49 -35.71 24.67 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.581 -0.448 . . . . 0.0 110.692 176.76 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.01 -32.15 73.59 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.185 -178.284 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.596 ' HG3' ' O ' ' B' ' 85' ' ' GLN . 49.4 mt-10 -65.72 -17.66 64.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.784 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 68.9 m80 -120.53 4.12 10.68 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -172.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 79.24 32.57 38.52 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 120.701 -0.761 . . . . 0.0 113.624 175.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 92' ' ' ILE . . . . . 0.595 HD11 HD12 ' A' ' 51' ' ' LEU . 1.4 mp -60.81 145.83 12.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 C-N-CA 122.933 0.493 . . . . 0.0 111.805 175.336 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 93' ' ' GLN . . . . . 0.417 HE22 ' CD ' ' A' ' 47' ' ' GLU . 1.4 mp0 -66.58 122.82 83.73 Favored Pre-proline 0 C--N 1.333 -0.121 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.97 176.196 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 94' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -67.83 163.64 34.66 Favored 'Trans proline' 0 C--O 1.236 0.409 0 C-N-CA 122.415 2.077 . . . . 0.0 112.033 176.668 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.83 77.44 0.87 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.508 -178.564 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -101.53 124.31 46.99 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.896 176.646 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -73.84 113.7 11.29 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.438 0.637 . . . . 0.0 110.078 178.395 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 98' ' ' MET . . . . . . . . . . . . . 64.3 mtt -128.71 1.59 5.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.679 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . 65.39 -74.51 0.05 Allowed 'General case' 0 N--CA 1.467 0.421 0 O-C-N 123.941 0.776 . . . . 0.0 111.529 -176.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -81.37 132.45 35.33 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.9 0.381 . . . . 0.0 110.02 -179.344 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -126.24 31.63 5.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.072 0.463 . . . . 0.0 110.355 -173.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 49.3 mm -104.77 124.24 37.49 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.913 -177.063 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 103' ' ' PRO . . . . . 0.51 ' HA ' ' HD3' ' B' ' 104' ' ' PRO . 56.9 Cg_endo -73.12 139.27 29.36 Favored 'Trans proline' 0 CA--C 1.532 0.404 0 C-N-CA 122.743 2.296 . . . . 0.0 111.948 176.731 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 104' ' ' PRO . . . . . 0.51 ' HD3' ' HA ' ' B' ' 103' ' ' PRO . 35.1 Cg_exo -61.62 140.88 89.04 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 123.144 2.563 . . . . 0.0 112.722 -178.504 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 105' ' ' ALA . . . . . 0.458 ' HA ' ' HD3' ' B' ' 106' ' ' PRO . . . -87.2 137.63 32.76 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.536 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 106' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' B' ' 105' ' ' ALA . 13.6 Cg_exo -69.25 -17.02 40.11 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 123.142 2.561 . . . . 0.0 111.868 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -147.77 130.02 15.6 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.442 176.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 5.7 t-105 . . . . . 0 C--O 1.251 1.132 0 N-CA-C 109.082 -0.711 . . . . 0.0 109.082 -179.724 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.646 0 N-CA-C 112.719 -0.152 . . . . 0.0 112.719 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -92.52 69.57 4.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.993 0.425 . . . . 0.0 110.805 -177.452 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 64.8 mtt -99.64 98.27 9.15 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 176.105 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.0 t 74.75 162.02 0.25 Allowed 'General case' 0 C--O 1.236 0.386 0 O-C-N 124.014 0.821 . . . . 0.0 110.518 -176.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -149.45 113.07 0.58 Allowed Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.904 -0.665 . . . . 0.0 111.846 -178.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -70.64 103.43 2.53 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.862 0.363 . . . . 0.0 110.375 177.371 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -127.04 31.24 5.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.342 0.592 . . . . 0.0 109.976 178.156 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.61 ' HD1' ' HH ' ' A' ' 53' ' ' TYR . 24.3 t60 -77.54 98.1 5.25 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.339 178.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.5 p -135.51 150.73 29.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.629 176.152 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 63.1 m 69.76 2.32 3.78 Favored 'General case' 0 CA--C 1.529 0.17 0 O-C-N 123.436 0.46 . . . . 0.0 111.618 177.23 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 76.6 m80 62.26 5.28 1.48 Allowed 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 122.967 0.507 . . . . 0.0 111.111 -175.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.611 HG21 ' HE1' ' A' ' 53' ' ' TYR . 15.8 t 61.32 6.02 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 123.676 0.79 . . . . 0.0 111.807 179.16 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 64.77 32.06 82.97 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.727 -0.749 . . . . 0.0 111.369 -174.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.501 ' CZ2' ' HA ' ' A' ' 16' ' ' PRO . 56.4 t90 -111.71 138.29 48.47 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.218 0.532 . . . . 0.0 111.477 -176.729 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.417 ' HB3' ' HB2' ' A' ' 18' ' ' ASN . 12.2 t70 -120.76 132.18 24.25 Favored Pre-proline 0 C--N 1.323 -0.545 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 172.699 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.501 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 9.3 Cg_endo -52.08 -29.77 37.98 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 123.918 3.079 . . . . 0.0 114.137 -175.029 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -105.38 -42.5 5.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.796 0.331 . . . . 0.0 111.539 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.417 ' HB2' ' HB3' ' A' ' 15' ' ' ASP . 36.2 m-80 -84.06 -12.72 54.68 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -173.426 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.81 ' HA3' ' HA ' ' A' ' 44' ' ' THR . . . 86.42 -161.85 34.32 Favored Glycine 0 N--CA 1.442 -0.93 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.792 177.427 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.502 ' HB2' ' HG ' ' A' ' 43' ' ' LEU . 55.5 m-85 -81.44 143.96 31.74 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 178.195 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -70.26 101.83 1.98 Allowed 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 176.097 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.673 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 16.4 m -68.24 -14.02 17.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -174.334 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -88.6 -39.61 13.97 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.271 0.558 . . . . 0.0 109.878 176.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -97.73 29.91 3.18 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.337 179.444 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.673 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 7.1 mt -66.86 133.43 50.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.604 -178.77 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.522 ' HB3' ' HB2' ' A' ' 29' ' ' LEU . 11.2 t70 -59.9 132.47 89.43 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.21 -0.904 . . . . 0.0 109.639 173.414 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 26' ' ' ASP . 63.6 Cg_exo -51.54 -31.71 40.75 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 123.9 3.067 . . . . 0.0 113.755 -176.519 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -84.6 -45.15 12.82 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.522 ' HB2' ' HB3' ' A' ' 26' ' ' ASP . 6.9 mp -49.76 -52.78 29.24 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 120.736 0.303 . . . . 0.0 111.25 171.053 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -56.11 -43.07 77.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.224 -178.337 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.5 t -67.29 -46.6 73.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.347 0.594 . . . . 0.0 110.388 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.823 HD21 HG13 ' B' ' 79' ' ' VAL . 2.5 tm? -62.64 -55.2 29.2 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.388 -175.807 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.629 ' HB3' ' HB ' ' A' ' 38' ' ' ILE . 18.2 m-85 -59.71 -33.37 71.51 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.534 -178.357 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.4 t -66.29 -31.16 71.8 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.187 178.086 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -79.53 -40.96 28.35 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.413 0.625 . . . . 0.0 110.13 175.264 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.487 ' HB1' ' HB3' ' B' ' 83' ' ' LEU . . . -70.32 -16.7 63.03 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.889 -1.051 . . . . 0.0 111.606 -175.015 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 106.66 -3.15 36.44 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.849 174.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.629 ' HB ' ' HB3' ' A' ' 33' ' ' PHE . 5.0 mp -75.78 115.85 17.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.878 0.371 . . . . 0.0 110.416 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.8 t -91.87 164.96 13.48 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 174.078 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -48.23 -47.23 35.95 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 122.738 0.415 . . . . 0.0 111.84 -175.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.478 ' O ' ' HE1' ' B' ' 101' ' ' HIS . . . -59.61 -53.05 62.53 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-O 120.873 0.368 . . . . 0.0 110.78 178.228 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 1.001 ' HG2' HG21 ' A' ' 48' ' ' THR . 21.8 tt0 -55.35 -38.8 69.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.585 0.707 . . . . 0.0 110.182 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.599 HD21 HD21 ' A' ' 25' ' ' LEU . 30.8 tp -71.37 -13.04 61.73 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.169 -177.768 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.81 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 22.9 p -118.16 20.01 13.34 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.91 -179.486 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -90.67 150.15 21.78 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.23 173.184 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.85 -63.41 1.16 Allowed 'General case' 0 C--O 1.237 0.429 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -171.303 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.405 ' H ' ' CD ' ' A' ' 47' ' ' GLU . 1.2 pm0 -75.05 -36.95 61.8 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.674 -174.709 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . 1.001 HG21 ' HG2' ' A' ' 42' ' ' GLN . 17.8 m -61.39 -56.57 18.85 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.832 -176.052 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.581 ' CB ' ' HA2' ' A' ' 19' ' ' GLY . 77.9 p -60.69 -40.54 92.56 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.068 0.461 . . . . 0.0 110.969 -176.548 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.425 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 4.4 ttmp? -62.65 -42.53 99.66 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.494 -179.576 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 1.029 HD12 HD11 ' B' ' 92' ' ' ILE . 45.5 mt -74.74 -31.01 61.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.343 179.176 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.645 ' O ' ' HB3' ' A' ' 55' ' ' PHE . 57.4 mt -62.6 -45.47 98.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.757 172.722 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.611 ' HE1' HG21 ' A' ' 12' ' ' VAL . 87.8 t80 -67.34 -39.56 85.79 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.237 -0.585 . . . . 0.0 110.037 177.297 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.409 ' HB3' ' HA ' ' A' ' 51' ' ' LEU . 20.1 t70 -57.67 -37.0 72.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.39 0.614 . . . . 0.0 109.953 174.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.645 ' HB3' ' O ' ' A' ' 52' ' ' ILE . 50.1 t80 -59.46 -54.28 48.49 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.437 174.176 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.499 HG12 HG21 ' A' ' 65' ' ' VAL . 69.9 mt -56.68 -42.37 76.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.294 -0.867 . . . . 0.0 110.742 -179.432 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -57.11 -51.51 69.02 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.872 173.525 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -59.32 -31.1 68.86 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.183 -177.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.584 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 11.5 mm100 -71.97 -14.99 62.06 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.154 0.502 . . . . 0.0 110.854 -178.736 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.18 9.4 8.77 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.241 -177.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 114.11 -178.11 18.08 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.708 176.283 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 29.0 tp -60.55 -38.46 84.55 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.984 0.365 . . . . 0.0 111.984 -174.282 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -66.06 -32.22 73.57 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.745 0.276 . . . . 0.0 111.745 -177.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.548 ' O ' ' HG3' ' A' ' 68' ' ' GLU . . . -60.94 -55.83 28.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.507 -174.454 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.499 HG21 HG12 ' A' ' 56' ' ' ILE . 43.4 t -60.71 -34.54 59.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.38 0.61 . . . . 0.0 110.898 -173.124 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 67.8 mtp180 -66.42 -32.46 73.86 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.027 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -94.18 -28.05 15.86 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.079 -0.51 . . . . 0.0 112.292 -174.204 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 1.067 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 26.3 mt-10 -62.85 -17.03 60.86 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 121.187 -0.205 . . . . 0.0 111.475 -176.54 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.793 ' HA ' ' HB2' ' B' ' 78' ' ' ASP . 43.4 mtt -52.22 -37.4 54.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.374 0.607 . . . . 0.0 110.873 172.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -120.3 14.8 12.15 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.401 -179.3 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 1.067 ' HB3' ' HA ' ' A' ' 68' ' ' GLU . 4.4 tmt_? -105.64 -54.39 2.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.293 -178.271 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.231 0 O-C-N 124.092 0.87 . . . . 0.0 109.85 -175.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.75 0 N-CA-C 112.253 -0.339 . . . . 0.0 112.253 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 74' ' ' HIS . . . . . 0.521 ' HB2' ' HB2' ' B' ' 81' ' ' GLN . 66.3 m-70 -78.27 142.16 38.02 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 175.603 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 75' ' ' MET . . . . . . . . . . . . . 75.1 mmm -84.36 64.47 8.37 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.421 0.629 . . . . 0.0 111.415 -174.34 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 76' ' ' LEU . . . . . 0.881 ' HB2' ' HB3' ' B' ' 81' ' ' GLN . 54.4 mt -121.68 139.31 29.78 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.433 175.373 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -90.95 20.31 0.98 Allowed 'Trans proline' 0 N--CA 1.454 -0.823 0 C-N-CA 122.956 2.437 . . . . 0.0 113.438 -173.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 78' ' ' ASP . . . . . 0.793 ' HB2' ' HA ' ' A' ' 69' ' ' MET . 3.9 p30 -154.87 -168.57 2.93 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.683 0.278 . . . . 0.0 111.257 -178.583 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.823 HG13 HD21 ' A' ' 32' ' ' LEU . 3.0 p -65.89 -16.22 20.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -174.317 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.419 ' HB3' HD13 ' B' ' 76' ' ' LEU . . . -51.85 -45.03 63.86 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 179.636 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 81' ' ' GLN . . . . . 0.881 ' HB3' ' HB2' ' B' ' 76' ' ' LEU . 23.6 pt20 -62.05 -31.08 71.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.42 0.628 . . . . 0.0 110.484 -178.741 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.96 -19.02 62.6 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 114.817 -1.083 . . . . 0.0 110.748 -174.285 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 0.586 HD13 ' CD1' ' A' ' 38' ' ' ILE . 0.5 OUTLIER -85.58 -36.72 20.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.684 -176.924 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 84' ' ' MET . . . . . 0.447 ' HB2' ' CD2' ' B' ' 74' ' ' HIS . 62.9 mtt -56.25 -42.07 76.79 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.814 178.473 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -62.69 -50.99 68.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.07 178.079 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 86' ' ' HIS . . . . . 0.4 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 41.4 t60 -62.54 -26.24 68.46 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.708 -171.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.511 HD22 HG13 ' B' ' 92' ' ' ILE . 84.1 mt -87.33 -49.95 6.9 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.933 0.397 . . . . 0.0 110.627 177.278 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.2 -31.95 70.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.389 -176.25 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -71.01 -20.34 62.41 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -174.661 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 34.3 m80 -101.92 -61.1 1.43 Allowed 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -172.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 142.99 64.22 0.02 OUTLIER Glycine 0 N--CA 1.453 -0.207 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -174.192 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 92' ' ' ILE . . . . . 1.029 HD11 HD12 ' A' ' 51' ' ' LEU . 4.7 mm -90.52 148.14 4.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -170.774 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -92.84 102.88 7.66 Favored Pre-proline 0 C--O 1.233 0.195 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.6 174.386 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 94' ' ' PRO . . . . . 0.742 ' HA ' ' HG3' ' A' ' 42' ' ' GLN . 7.1 Cg_exo -73.41 164.98 33.7 Favored 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 123.111 2.541 . . . . 0.0 112.61 -178.619 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 95' ' ' ALA . . . . . 0.546 ' HB2' ' HB2' ' A' ' 42' ' ' GLN . . . -73.91 8.74 1.84 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.507 -178.137 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -125.39 84.61 2.3 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.231 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 97' ' ' ASN . . . . . 0.429 ' OD1' ' HG3' ' B' ' 98' ' ' MET . 3.9 p30 -173.05 -37.2 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 178.213 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 98' ' ' MET . . . . . 0.429 ' HG3' ' OD1' ' B' ' 97' ' ' ASN . 90.3 mtp -133.35 133.57 42.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.607 175.391 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -88.12 112.19 22.42 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 177.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 69.93 137.46 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.254 0 O-C-N 124.036 0.835 . . . . 0.0 110.11 -175.41 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 101' ' ' HIS . . . . . 0.478 ' HE1' ' O ' ' A' ' 41' ' ' ALA . 31.5 m170 -78.3 82.69 4.59 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.498 0.666 . . . . 0.0 110.885 -176.432 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 49.0 mm -79.66 123.96 83.83 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.712 175.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 103' ' ' PRO . . . . . 0.412 ' HA ' ' HD3' ' B' ' 104' ' ' PRO . 18.4 Cg_endo -61.44 119.35 6.44 Favored 'Trans proline' 0 C--O 1.236 0.421 0 C-N-CA 122.602 2.201 . . . . 0.0 112.045 178.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 104' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' B' ' 103' ' ' PRO . 23.8 Cg_exo -64.28 126.3 16.78 Favored 'Trans proline' 0 C--O 1.236 0.407 0 C-N-CA 123.152 2.568 . . . . 0.0 112.187 -179.425 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 105' ' ' ALA . . . . . 0.509 ' HA ' ' HD3' ' B' ' 106' ' ' PRO . . . -79.33 131.22 66.26 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.097 178.157 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 106' ' ' PRO . . . . . 0.509 ' HD3' ' HA ' ' B' ' 105' ' ' ALA . 6.1 Cg_exo -74.47 64.65 5.55 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.971 2.447 . . . . 0.0 111.484 178.59 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -83.55 54.26 2.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.958 -177.239 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 31.1 p90 . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.373 -0.823 . . . . 0.0 109.921 176.771 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.736 0 N-CA-C 111.871 -0.492 . . . . 0.0 111.871 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -82.5 61.17 5.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.819 0.31 . . . . 0.0 110.941 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.2 mpt? 54.66 61.54 2.94 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.328 0.585 . . . . 0.0 110.601 179.664 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.2 p -75.65 92.95 3.0 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.783 178.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 114.31 165.49 15.37 Favored Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 111.344 -0.702 . . . . 0.0 111.344 -176.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.568 ' CE1' ' HD2' ' A' ' 66' ' ' ARG . 3.4 p90 -71.62 -9.71 58.66 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.764 0.282 . . . . 0.0 111.386 -179.21 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 1.055 ' HD3' ' HG3' ' A' ' 63' ' ' GLU . 12.2 tppt? 46.09 -91.53 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.219 1.008 . . . . 0.0 112.93 168.303 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -155.57 60.43 0.62 Allowed 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 176.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 6' ' ' PHE . 57.8 t -77.81 -16.42 14.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-O 121.701 0.762 . . . . 0.0 109.071 179.406 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.6 m 66.57 19.5 10.84 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 114.421 -1.263 . . . . 0.0 111.044 176.233 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 49.5 m170 -99.89 -50.69 3.93 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 173.526 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.839 HG22 HD21 ' A' ' 62' ' ' LEU . 2.9 t 58.47 5.54 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 CA-C-N 114.867 -1.061 . . . . 0.0 113.543 167.665 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 66.98 28.81 73.94 Favored Glycine 0 C--N 1.33 0.229 0 C-N-CA 120.483 -0.865 . . . . 0.0 110.997 -171.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.425 ' CZ2' ' HA ' ' A' ' 16' ' ' PRO . 70.0 t90 -116.16 142.04 47.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.377 -0.412 . . . . 0.0 111.242 -172.667 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -122.62 133.25 24.33 Favored Pre-proline 0 C--N 1.325 -0.492 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 174.328 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.425 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 10.1 Cg_endo -52.03 -27.37 28.53 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 123.642 2.895 . . . . 0.0 114.459 -175.567 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -104.83 -52.78 2.8 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.719 -0.392 . . . . 0.0 111.676 179.262 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -74.82 -17.78 60.56 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.635 -173.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.6 -157.03 26.2 Favored Glycine 0 N--CA 1.441 -0.996 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.959 176.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.422 ' HB3' HD21 ' A' ' 25' ' ' LEU . 94.4 m-85 -78.56 139.55 38.6 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.372 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -74.21 105.56 5.45 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 176.126 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.661 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 17.8 m -74.7 -3.26 4.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.495 -172.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -90.69 -32.95 15.98 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.944 0.402 . . . . 0.0 109.977 175.159 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -113.0 33.45 5.04 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.405 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.661 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 19.7 mt -69.38 123.31 20.9 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.615 175.292 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -63.55 140.43 97.76 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.934 177.424 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -41.14 -53.53 2.97 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 124.202 3.268 . . . . 0.0 114.004 -175.313 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.69 -49.44 73.14 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.708 -176.637 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.491 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 90.1 mt -56.15 -46.77 79.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.088 0.47 . . . . 0.0 110.569 175.492 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -34.78 76.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.232 -177.795 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.3 t -67.8 -51.6 46.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.826 175.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.759 HD13 HG13 ' B' ' 79' ' ' VAL . 50.0 tp -57.49 -57.26 13.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.961 -1.018 . . . . 0.0 112.582 -175.236 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.491 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 20.3 m-85 -59.43 -38.42 80.62 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.914 -170.662 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.7 t -66.03 -36.57 83.61 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.835 178.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.529 ' HB3' ' HG ' ' B' ' 76' ' ' LEU . 99.3 mtt180 -67.75 -39.41 84.21 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.4 0.619 . . . . 0.0 110.327 176.289 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.466 ' HB1' ' HB3' ' B' ' 83' ' ' LEU . . . -70.88 -11.27 60.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.769 -174.338 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.88 -1.51 58.0 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.794 178.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.602 HD13 HD13 ' A' ' 52' ' ' ILE . 8.6 mt -79.7 104.91 8.41 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.683 0 CA-C-O 120.977 0.418 . . . . 0.0 110.322 179.011 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.421 ' HB3' ' CB ' ' B' ' 95' ' ' ALA . 44.7 t -68.04 159.36 30.96 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.114 175.628 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -53.21 -38.52 62.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.913 0.387 . . . . 0.0 111.066 178.371 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.51 -41.13 98.53 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.09 0.471 . . . . 0.0 110.634 177.218 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 1.146 ' HG2' HG21 ' A' ' 48' ' ' THR . 42.5 tt0 -65.73 -28.23 68.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.64 -178.707 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 84.1 mt -70.79 -17.78 62.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.901 176.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 38.2 p -108.04 12.46 26.88 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.771 178.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.55 ' OD2' ' HA ' ' A' ' 42' ' ' GLN . 17.8 m-20 -89.84 135.06 33.86 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.91 172.651 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.48 -69.51 0.12 Allowed 'General case' 0 C--O 1.237 0.415 0 N-CA-C 113.326 0.862 . . . . 0.0 113.326 -169.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.432 ' H ' ' CD ' ' A' ' 47' ' ' GLU . 1.2 pm0 -62.97 -37.26 86.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.927 0.394 . . . . 0.0 110.817 -173.767 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . 1.146 HG21 ' HG2' ' A' ' 42' ' ' GLN . 19.2 m -61.38 -55.93 26.02 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.031 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.0 t -61.51 -41.88 97.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.342 -173.296 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.425 ' HA ' ' HZ2' ' A' ' 14' ' ' TRP . 85.6 tttt -65.35 -38.35 89.83 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.599 -179.087 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.551 HD12 HD11 ' B' ' 92' ' ' ILE . 62.5 mt -75.36 -25.97 58.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.246 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.621 ' O ' ' HB3' ' A' ' 55' ' ' PHE . 57.0 mt -65.65 -43.68 93.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 CA-C-O 121.006 0.432 . . . . 0.0 110.321 170.193 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.546 ' HE1' HG21 ' A' ' 12' ' ' VAL . 88.4 t80 -65.96 -43.33 88.26 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 177.022 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.517 ' HB3' ' HA ' ' A' ' 51' ' ' LEU . 8.6 t70 -54.74 -35.09 63.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.418 173.604 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.87 ' HE1' ' HG3' ' B' ' 82' ' ' ARG . 35.4 t80 -66.11 -51.8 54.57 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.84 -1.073 . . . . 0.0 110.802 176.681 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 88.0 mt -57.99 -43.45 84.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.507 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -54.64 -52.59 61.81 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.617 172.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -56.82 -31.81 65.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.135 -0.939 . . . . 0.0 112.201 -178.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 85.1 mm-40 -78.89 -11.32 59.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.84 0.353 . . . . 0.0 111.416 -178.552 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.67 0.72 15.47 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.356 178.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 117.87 -165.14 12.65 Favored Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 120.862 -0.685 . . . . 0.0 111.766 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.839 HD21 HG22 ' A' ' 12' ' ' VAL . 9.1 mp -78.37 -44.52 24.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 117.147 0.473 . . . . 0.0 111.597 -170.001 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 1.055 ' HG3' ' HD3' ' A' ' 7' ' ' LYS . 11.1 mm-40 -60.15 -38.06 82.0 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.158 -177.461 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.571 ' O ' ' HG2' ' A' ' 68' ' ' GLU . . . -57.55 -52.92 63.42 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.239 179.076 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.47 ' CG1' HD22 ' A' ' 32' ' ' LEU . 87.6 t -58.39 -38.81 71.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.176 -176.254 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.568 ' HD2' ' CE1' ' A' ' 6' ' ' PHE . 69.9 mtp180 -61.16 -34.73 75.49 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.855 179.091 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -94.77 -20.83 19.16 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.965 -173.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.685 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 27.8 mm-40 -56.4 -24.48 45.03 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 120.72 0.295 . . . . 0.0 110.775 179.221 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.664 ' HA ' ' HB2' ' B' ' 78' ' ' ASP . 51.2 mtt -57.82 -25.19 60.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.341 178.746 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -126.44 13.75 7.63 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.812 178.375 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.685 ' HB3' ' HA ' ' A' ' 68' ' ' GLU . 3.5 tmt_? -123.62 -55.37 1.73 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.065 -173.581 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 . . . . . 0 C--O 1.246 0.906 0 CA-C-O 118.542 -0.742 . . . . 0.0 110.521 -177.469 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.81 0 N-CA-C 111.813 -0.515 . . . . 0.0 111.813 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 74' ' ' HIS . . . . . 0.942 ' HB2' ' HB2' ' B' ' 81' ' ' GLN . 39.2 m80 -129.28 -79.16 0.56 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 178.174 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 75' ' ' MET . . . . . 0.477 ' H ' ' HB2' ' B' ' 81' ' ' GLN . 26.5 mmt -129.99 -84.2 0.54 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.949 0.404 . . . . 0.0 110.467 179.718 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 76' ' ' LEU . . . . . 0.529 ' HG ' ' HB3' ' A' ' 35' ' ' ARG . 2.7 mm? -59.76 147.92 77.18 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.449 176.545 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -83.14 28.63 0.57 Allowed 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 123.094 2.529 . . . . 0.0 113.019 -173.029 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 78' ' ' ASP . . . . . 0.664 ' HB2' ' HA ' ' A' ' 69' ' ' MET . 3.6 p30 -153.65 -168.1 2.88 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.276 -178.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.759 HG13 HD13 ' A' ' 32' ' ' LEU . 2.3 p -53.68 -25.31 11.32 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 O-C-N 123.589 0.556 . . . . 0.0 112.367 -178.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.565 ' HB2' HD12 ' A' ' 32' ' ' LEU . . . -55.42 -27.61 48.93 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 81' ' ' GLN . . . . . 0.942 ' HB2' ' HB2' ' B' ' 74' ' ' HIS . 3.2 pt20 -70.38 -32.98 70.87 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.477 0.656 . . . . 0.0 110.368 179.304 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 82' ' ' ARG . . . . . 0.87 ' HG3' ' HE1' ' A' ' 55' ' ' PHE . 5.7 tpm_? -76.19 -24.18 54.72 Favored 'General case' 0 N--CA 1.436 -1.145 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.255 -175.285 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 0.604 ' HG ' ' CE2' ' A' ' 55' ' ' PHE . 0.6 OUTLIER -74.23 -43.26 57.78 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.84 -1.073 . . . . 0.0 110.48 179.858 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 84' ' ' MET . . . . . 0.408 ' HG2' ' O ' ' A' ' 36' ' ' ALA . 64.4 mtt -53.24 -50.22 65.22 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 121.347 0.594 . . . . 0.0 110.507 -178.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 85' ' ' GLN . . . . . 0.63 ' O ' ' HG3' ' B' ' 89' ' ' GLU . 21.7 mm-40 -64.07 -48.73 75.08 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.54 -179.237 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 86' ' ' HIS . . . . . 0.431 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 65.9 t60 -56.05 -33.81 65.31 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.866 -172.353 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.551 HD22 HG12 ' B' ' 92' ' ' ILE . 75.2 mt -80.41 -52.09 8.07 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.115 0.483 . . . . 0.0 110.59 179.178 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.43 -25.02 64.0 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.573 -177.213 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.63 ' HG3' ' O ' ' B' ' 85' ' ' GLN . 46.4 mt-10 -64.73 -23.99 67.42 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -104.58 -74.2 0.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.562 -0.455 . . . . 0.0 112.005 -174.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 162.75 44.65 0.02 OUTLIER Glycine 0 C--O 1.229 -0.156 0 C-N-CA 120.386 -0.912 . . . . 0.0 112.622 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 92' ' ' ILE . . . . . 0.551 HD11 HD12 ' A' ' 51' ' ' LEU . 1.7 mp -60.73 135.91 24.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.216 0.531 . . . . 0.0 112.17 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -90.24 100.14 2.42 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 171.18 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 94' ' ' PRO . . . . . 0.438 ' HA ' ' HG3' ' A' ' 42' ' ' GLN . 83.4 Cg_endo -83.77 109.49 1.53 Allowed 'Trans proline' 0 N--CA 1.455 -0.754 0 C-N-CA 121.936 1.757 . . . . 0.0 115.053 -164.704 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 95' ' ' ALA . . . . . 0.595 ' HB2' ' HB2' ' A' ' 42' ' ' GLN . . . 65.04 -69.03 0.1 Allowed 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 115.197 1.555 . . . . 0.0 115.197 162.313 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 96' ' ' ARG . . . . . 0.537 ' HB2' ' O ' ' B' ' 95' ' ' ALA . 36.7 mmt180 78.05 -16.44 0.66 Allowed 'General case' 0 C--N 1.32 -0.711 0 O-C-N 124.439 1.087 . . . . 0.0 110.275 -168.393 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 97' ' ' ASN . . . . . 0.421 ' H ' ' C ' ' B' ' 95' ' ' ALA . 28.4 t-20 72.18 -41.41 0.5 Allowed 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.053 0.941 . . . . 0.0 112.55 174.53 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 98' ' ' MET . . . . . . . . . . . . . 21.4 mmt -70.73 149.54 46.82 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 177.516 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -82.9 62.6 6.56 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.298 0.571 . . . . 0.0 110.918 -177.424 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -73.46 -23.34 60.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.573 176.077 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 14.9 m80 -82.07 107.11 14.52 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 170.303 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 102' ' ' ILE . . . . . 0.43 ' HA ' ' HD3' ' B' ' 103' ' ' PRO . 32.8 pt -64.6 119.99 61.86 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-O 121.206 0.527 . . . . 0.0 111.664 -172.429 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 103' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' B' ' 102' ' ' ILE . 29.3 Cg_exo -62.42 125.09 15.47 Favored 'Trans proline' 0 C--O 1.236 0.379 0 C-N-CA 122.929 2.419 . . . . 0.0 111.671 177.135 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 104' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -58.72 150.95 67.15 Favored 'Trans proline' 0 C--O 1.236 0.404 0 C-N-CA 123.146 2.564 . . . . 0.0 112.183 -179.185 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.37 123.43 73.41 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.602 178.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 106' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -64.62 129.52 23.87 Favored 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 122.782 2.321 . . . . 0.0 112.699 -177.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -90.02 26.72 1.77 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.606 178.648 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 18.0 t90 . . . . . 0 C--O 1.25 1.085 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.959 -178.133 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.704 0 N-CA-C 111.847 -0.501 . . . . 0.0 111.847 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 9.7 p-80 -95.83 100.39 12.09 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.361 0.601 . . . . 0.0 110.947 -178.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 66.0 mtt -96.15 -70.27 0.72 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.576 176.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.0 p 171.51 -39.94 0.0 OUTLIER 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.121 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 107.7 -19.05 34.02 Favored Glycine 0 N--CA 1.449 -0.49 0 N-CA-C 110.028 -1.229 . . . . 0.0 110.028 -173.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.407 ' HA ' ' O ' ' A' ' 60' ' ' GLY . 74.2 t80 -80.43 93.88 6.09 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 114.586 -0.807 . . . . 0.0 110.076 178.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.566 ' HD3' ' OE2' ' A' ' 57' ' ' GLU . 35.9 ttpt 68.88 159.16 0.17 Allowed 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.933 -179.231 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.461 ' N ' ' HG2' ' A' ' 7' ' ' LYS . 76.4 m-70 -134.54 161.26 35.57 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 175.778 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 29.7 m -86.93 -18.76 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.383 -162.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.2 m -70.51 -5.54 29.63 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.487 176.121 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 63.0 m80 62.68 22.42 13.33 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.377 -0.829 . . . . 0.0 108.955 -169.359 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.606 HG22 HD11 ' A' ' 62' ' ' LEU . 21.3 t 63.66 -74.42 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 CA-C-N 114.387 -1.279 . . . . 0.0 111.884 -179.269 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -171.07 25.71 0.1 OUTLIER Glycine 0 N--CA 1.448 -0.534 0 N-CA-C 110.363 -1.095 . . . . 0.0 110.363 177.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.508 ' CZ2' ' HA ' ' A' ' 16' ' ' PRO . 71.7 t90 -110.25 135.78 50.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.318 -0.441 . . . . 0.0 111.288 -174.102 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -116.38 133.6 22.95 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.586 -0.733 . . . . 0.0 109.691 173.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.508 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 81.0 Cg_exo -43.7 -39.86 10.51 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 124.76 3.64 . . . . 0.0 115.066 -175.162 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -105.61 -28.98 10.43 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -176.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -97.12 -16.29 20.54 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -171.494 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 86.82 -162.41 34.18 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.59 177.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -78.78 151.06 32.2 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.231 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.436 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 31.2 t70 -86.2 114.21 22.84 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 171.233 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.641 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 17.0 m -78.05 -2.92 5.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.63 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.966 -173.347 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -87.61 -47.93 8.3 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.138 175.244 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -99.1 45.96 0.99 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.08 0.467 . . . . 0.0 110.731 176.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.641 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 13.2 mt -81.59 122.33 27.45 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.564 175.726 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -53.04 129.58 49.0 Favored Pre-proline 0 C--N 1.328 -0.328 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 174.351 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -49.73 -34.23 34.86 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 124.092 3.195 . . . . 0.0 114.051 -174.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.486 ' CG ' ' HE ' ' A' ' 66' ' ' ARG . 1.0 OUTLIER -75.23 -44.82 44.06 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 179.372 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.494 HD21 HD22 ' A' ' 62' ' ' LEU . 94.9 mt -58.45 -46.51 86.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.955 0.407 . . . . 0.0 109.983 175.64 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.8 ttp180 -60.38 -41.14 93.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.592 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.6 t -57.65 -49.39 76.62 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.208 0.528 . . . . 0.0 109.917 176.124 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.576 HD13 HG23 ' B' ' 79' ' ' VAL . 11.6 tp -62.48 -59.75 4.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.37 -0.832 . . . . 0.0 112.174 -177.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.46 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 9.5 m-30 -60.54 -33.75 73.12 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.593 -170.455 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.1 t -66.43 -36.47 82.87 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.721 177.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -68.98 -34.09 74.75 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.131 0.491 . . . . 0.0 110.474 176.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.01 -15.04 60.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.797 -175.345 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.02 -2.66 59.96 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.186 178.623 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.656 HD13 ' CD1' ' A' ' 52' ' ' ILE . 5.3 mt -74.85 112.06 11.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 177.376 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.4 t -90.16 174.82 7.41 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.583 -177.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.482 ' HA ' HG11 ' A' ' 22' ' ' VAL . 1.7 mp0 -52.0 -48.17 64.58 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.936 0.398 . . . . 0.0 111.365 -176.729 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.89 -36.65 81.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.205 0.526 . . . . 0.0 111.038 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.801 ' HG3' HG21 ' A' ' 48' ' ' THR . 3.8 tp60 -77.41 -27.32 52.29 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.636 -176.556 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.0 mt -74.82 -14.21 60.66 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.402 174.465 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.8 p -107.84 11.86 27.75 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 121.858 0.837 . . . . 0.0 109.423 178.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.601 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 34.0 t70 -80.43 163.23 23.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.422 175.421 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.46 -69.78 0.51 Allowed 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 -175.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -73.53 -36.12 65.64 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.771 -176.151 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.801 HG21 ' HG3' ' A' ' 42' ' ' GLN . 20.9 m -54.51 -50.33 68.08 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 111.76 0.281 . . . . 0.0 111.76 176.639 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 92.7 p -70.3 -39.71 74.67 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 120.873 -0.331 . . . . 0.0 111.557 -173.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -58.65 -43.42 89.81 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.956 -176.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.655 HD12 HG13 ' B' ' 92' ' ' ILE . 45.1 mt -66.45 -34.45 77.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.403 -178.383 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.656 ' CD1' HD13 ' A' ' 38' ' ' ILE . 34.2 mt -62.89 -45.22 99.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.144 176.147 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -63.43 -43.62 96.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.227 0.537 . . . . 0.0 109.918 178.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.36 -43.51 92.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.79 174.006 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.713 ' HE1' ' HG3' ' B' ' 82' ' ' ARG . 41.5 t80 -56.19 -46.84 79.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.01 176.161 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.696 HG21 HD23 ' A' ' 62' ' ' LEU . 96.5 mt -61.07 -43.83 97.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.068 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.566 ' OE2' ' HD3' ' A' ' 7' ' ' LYS . 40.4 tt0 -64.64 -37.7 88.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.135 0.493 . . . . 0.0 110.131 176.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -62.88 -30.0 71.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.554 -178.554 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.522 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 62.3 mm-40 -86.14 -15.23 41.71 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.933 0.396 . . . . 0.0 111.36 -178.724 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' A' ' 6' ' ' PHE . . . 118.38 10.31 8.82 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.347 -0.93 . . . . 0.0 112.625 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.88 174.19 22.12 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.7 176.657 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.696 HD23 HG21 ' A' ' 56' ' ' ILE . 65.0 mt -52.54 -53.1 50.72 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.689 0.756 . . . . 0.0 111.607 -176.765 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -70.16 -22.41 62.98 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.871 -1.059 . . . . 0.0 112.042 -170.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.7 -37.71 48.99 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.181 0.515 . . . . 0.0 109.85 174.536 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.764 HG13 HG11 ' B' ' 79' ' ' VAL . 54.0 t -61.47 -36.6 74.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.229 176.498 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 73.3 mtp180 -59.14 -37.85 78.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.491 176.766 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -68.25 -41.46 81.1 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.03 -178.503 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.626 ' HG3' ' HA ' ' A' ' 65' ' ' VAL . 1.9 mm-40 -49.93 -35.74 25.15 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.872 0.732 . . . . 0.0 111.128 179.351 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.55 ' HA ' ' HB2' ' B' ' 78' ' ' ASP . 39.5 mtt -56.93 -38.65 73.19 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.885 -176.459 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.29 21.48 13.58 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.041 -177.491 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.5 tmm_? -135.28 -62.58 0.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.274 -177.083 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 . . . . . 0 C--O 1.25 1.1 0 O-C-N 123.743 0.652 . . . . 0.0 110.521 -174.68 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.968 0 N-CA-C 112.639 -0.184 . . . . 0.0 112.639 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 74' ' ' HIS . . . . . 0.461 ' HB3' ' HB2' ' B' ' 81' ' ' GLN . 67.7 m80 -139.79 48.1 1.82 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 176.365 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 75' ' ' MET . . . . . . . . . . . . . 63.6 mtm -79.33 58.57 2.62 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.188 0.518 . . . . 0.0 111.254 -176.053 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 76' ' ' LEU . . . . . 0.849 ' HB2' ' HB3' ' B' ' 81' ' ' GLN . 4.0 mm? -110.81 137.92 20.95 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.676 176.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 77' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' B' ' 76' ' ' LEU . 64.4 Cg_endo -94.04 25.7 0.36 Allowed 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 123.286 2.658 . . . . 0.0 112.514 -178.76 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 78' ' ' ASP . . . . . 0.55 ' HB2' ' HA ' ' A' ' 69' ' ' MET . 4.1 p30 -160.12 -167.38 1.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.538 -174.49 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.764 HG11 HG13 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -44.47 -34.39 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 114.847 -1.069 . . . . 0.0 113.513 177.679 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.419 ' O ' ' HG3' ' B' ' 84' ' ' MET . . . -53.91 -43.73 69.97 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 -170.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 81' ' ' GLN . . . . . 0.849 ' HB3' ' HB2' ' B' ' 76' ' ' LEU . 28.1 pt20 -69.37 -34.21 74.22 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.616 0.722 . . . . 0.0 109.638 179.279 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 82' ' ' ARG . . . . . 0.713 ' HG3' ' HE1' ' A' ' 55' ' ' PHE . 17.7 tpt180 -73.48 -16.8 61.29 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.503 -1.226 . . . . 0.0 110.142 -178.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 0.513 HD13 ' CD2' ' A' ' 55' ' ' PHE . 23.3 tp -94.12 -36.34 12.12 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.926 -176.059 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 84' ' ' MET . . . . . 0.419 ' HG3' ' O ' ' B' ' 80' ' ' ALA . 66.0 mtt -53.93 -48.83 69.81 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.149 0.499 . . . . 0.0 110.038 175.785 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 85' ' ' GLN . . . . . 0.455 ' O ' ' HG2' ' B' ' 89' ' ' GLU . 63.9 mt-30 -64.83 -34.86 79.37 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.658 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 86' ' ' HIS . . . . . 0.515 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 19.5 t60 -63.92 -27.09 68.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.08 -175.655 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.605 HD12 HG21 ' B' ' 92' ' ' ILE . 2.8 mm? -87.87 -52.75 5.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.009 0.433 . . . . 0.0 110.855 176.116 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -50.5 -40.6 51.8 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 -172.111 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' B' ' 85' ' ' GLN . 17.6 mm-40 -62.08 -20.69 64.27 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -175.802 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -102.74 5.73 39.04 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -174.491 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 76.95 20.34 76.15 Favored Glycine 0 C--N 1.328 0.124 0 C-N-CA 120.145 -1.026 . . . . 0.0 112.389 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 92' ' ' ILE . . . . . 0.655 HG13 HD12 ' A' ' 51' ' ' LEU . 41.9 mm -58.62 148.54 6.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 C-N-CA 123.442 0.697 . . . . 0.0 110.897 178.701 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 23.8 mp0 -75.85 135.05 71.25 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.329 -177.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_exo -66.6 151.42 82.84 Favored 'Trans proline' 0 C--O 1.236 0.398 0 C-N-CA 122.675 2.25 . . . . 0.0 110.921 171.462 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 95' ' ' ALA . . . . . 0.432 ' HA ' ' OE1' ' A' ' 42' ' ' GLN . . . -66.02 84.52 0.08 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.253 0.549 . . . . 0.0 110.715 178.177 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -88.03 -88.11 0.15 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.397 -178.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 177.13 -26.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.573 -176.208 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 98' ' ' MET . . . . . . . . . . . . . 51.3 tpp -46.35 114.2 0.77 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.751 -178.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.94 -12.31 60.61 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.043 -179.331 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -75.26 89.49 2.56 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.089 0.471 . . . . 0.0 110.542 178.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 48.6 m-70 -104.88 11.71 33.35 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 171.603 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 40.6 mm -115.36 132.27 23.17 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.92 -169.008 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 103' ' ' PRO . . . . . 0.403 ' HA ' ' HD3' ' B' ' 104' ' ' PRO . 30.0 Cg_endo -65.75 127.73 18.49 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.327 2.018 . . . . 0.0 110.824 170.421 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 104' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' B' ' 103' ' ' PRO . 60.6 Cg_exo -51.6 132.18 39.89 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.901 2.401 . . . . 0.0 112.623 -178.007 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.38 116.28 45.67 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.294 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 106' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -68.08 102.12 0.76 Allowed 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.742 2.295 . . . . 0.0 112.714 -175.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -101.25 149.05 24.41 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 173.399 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 9.9 m-90 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.55 -0.738 . . . . 0.0 110.491 -174.055 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.786 0 N-CA-C 111.982 -0.447 . . . . 0.0 111.982 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 13.8 p-80 -87.4 123.98 32.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.226 0.536 . . . . 0.0 109.757 176.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 72.1 mtm -101.48 61.48 0.92 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.451 0.643 . . . . 0.0 111.08 -176.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.8 t -103.08 117.64 35.01 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 174.121 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -57.41 -39.31 90.34 Favored Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 115.163 -0.926 . . . . 0.0 114.122 -172.487 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -140.7 109.51 6.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.336 0.589 . . . . 0.0 111.013 -178.726 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.888 ' HB2' ' HA3' ' A' ' 61' ' ' GLY . 20.6 pttm -76.78 -11.52 59.85 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.703 -179.516 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -134.15 75.58 1.6 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.552 -175.484 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.4 p -114.48 -31.48 2.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.127 0.489 . . . . 0.0 111.243 -179.292 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.7 m -81.67 0.03 40.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.404 -177.322 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 35.2 m80 63.1 6.47 2.31 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-O 120.891 0.377 . . . . 0.0 110.529 -170.053 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.62 HG13 HD21 ' A' ' 62' ' ' LEU . 26.3 t 68.27 -11.46 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 123.462 0.705 . . . . 0.0 112.097 178.072 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 72.55 27.39 69.55 Favored Glycine 0 N--CA 1.45 -0.398 0 N-CA-C 110.389 -1.084 . . . . 0.0 110.389 -173.15 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.718 ' CZ2' ' HA ' ' A' ' 16' ' ' PRO . 67.2 t90 -126.4 141.0 52.05 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.151 -0.525 . . . . 0.0 111.218 -173.25 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.542 ' HB2' ' HB2' ' A' ' 18' ' ' ASN . 2.2 m-20 -124.32 129.24 24.77 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.417 173.179 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.718 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 95.9 Cg_exo -43.86 -45.85 11.07 Favored 'Trans proline' 0 N--CA 1.472 0.254 0 C-N-CA 123.643 2.895 . . . . 0.0 114.624 -171.52 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -103.16 -4.57 24.24 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 111.887 0.329 . . . . 0.0 111.887 -174.247 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.542 ' HB2' ' HB2' ' A' ' 15' ' ' ASP . 17.7 m120 -108.11 -35.9 6.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.585 0.231 . . . . 0.0 111.317 -176.576 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.527 ' HA2' ' OG ' ' A' ' 49' ' ' SER . . . 108.54 -163.57 12.74 Favored Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 121.029 -0.605 . . . . 0.0 112.576 179.093 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.411 ' CD1' ' HB2' ' A' ' 14' ' ' TRP . 89.3 m-85 -88.44 132.78 34.33 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 177.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -77.59 80.49 4.07 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 176.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.615 ' HA ' ' HB3' ' A' ' 25' ' ' LEU . 3.6 p -50.69 -26.03 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 C-N-CA 123.682 0.793 . . . . 0.0 112.242 -177.059 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -69.39 -40.16 77.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.861 0.362 . . . . 0.0 110.545 178.333 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -117.12 43.45 2.3 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.721 0.772 . . . . 0.0 109.035 178.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.615 ' HB3' ' HA ' ' A' ' 22' ' ' VAL . 0.1 OUTLIER -99.94 133.72 43.9 Favored 'General case' 0 N--CA 1.438 -1.025 0 CA-C-N 114.517 -1.219 . . . . 0.0 109.912 -172.576 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -54.43 132.1 62.68 Favored Pre-proline 0 N--CA 1.466 0.327 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.923 -173.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -53.29 -38.89 82.46 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 124.282 3.321 . . . . 0.0 113.957 -177.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -71.64 -37.87 70.79 Favored 'General case' 0 CA--C 1.519 -0.242 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.281 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.573 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 98.3 mt -64.69 -42.97 94.93 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 175.178 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -56.2 -41.41 75.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.929 176.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.5 t -58.66 -49.35 77.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.505 175.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.834 HD13 HG13 ' B' ' 79' ' ' VAL . 57.2 tp -64.39 -55.17 22.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.396 -0.82 . . . . 0.0 112.11 -175.348 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.582 ' HB3' ' HB ' ' A' ' 38' ' ' ILE . 12.4 m-30 -61.69 -37.17 83.12 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.226 -171.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.3 t -63.24 -26.78 68.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 177.518 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 35.5 mtt180 -80.6 -35.57 33.92 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.773 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.4 -28.56 62.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.395 -177.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.64 -3.56 23.16 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.427 -0.892 . . . . 0.0 111.79 -176.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.674 HD13 HD13 ' A' ' 52' ' ' ILE . 43.0 mt -63.45 115.21 2.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 C-N-CA 122.688 0.395 . . . . 0.0 111.068 178.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.444 ' HB3' ' O ' ' B' ' 95' ' ' ALA . 97.5 p -88.85 179.57 6.18 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.859 179.265 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -57.73 -40.93 80.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.216 0.531 . . . . 0.0 109.652 172.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.06 -32.03 73.26 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.867 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.611 ' HB3' HG21 ' A' ' 48' ' ' THR . 32.1 mt-30 -77.0 -38.66 52.68 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.07 179.019 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.525 HD21 ' CD2' ' A' ' 33' ' ' PHE . 28.4 mt -65.31 -24.75 67.36 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.734 176.75 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.7 p -106.72 15.29 25.82 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.447 0.641 . . . . 0.0 110.271 178.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.481 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 30.8 t70 -90.37 135.15 33.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.002 176.223 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.95 -55.9 22.75 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-O 121.572 0.701 . . . . 0.0 111.044 179.212 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -70.36 -54.64 11.66 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 114.748 -1.115 . . . . 0.0 111.052 -170.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.627 ' O ' HG13 ' A' ' 52' ' ' ILE . 17.5 m -51.44 -63.74 1.04 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.469 -0.787 . . . . 0.0 112.289 -179.637 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.555 ' HA ' HD12 ' A' ' 52' ' ' ILE . 97.6 p -59.91 -43.54 94.79 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -172.652 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.535 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 81.9 tttt -61.28 -38.64 87.52 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.715 -176.332 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.765 HD12 HD11 ' B' ' 92' ' ' ILE . 78.2 mt -81.36 -27.76 34.74 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.046 179.28 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.674 HD13 HD13 ' A' ' 38' ' ' ILE . 99.0 mt -58.64 -48.16 86.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 120.643 0.259 . . . . 0.0 110.381 171.006 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.43 ' CE1' HG21 ' A' ' 12' ' ' VAL . 62.5 t80 -61.62 -46.0 91.67 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.818 0.342 . . . . 0.0 110.567 178.521 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -54.55 -35.68 63.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.254 176.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.635 ' HB2' ' CD2' ' B' ' 86' ' ' HIS . 38.7 t80 -65.35 -49.8 68.01 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.01 174.651 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.516 HG23 HG21 ' A' ' 65' ' ' VAL . 98.2 mt -59.53 -37.66 71.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.49 -177.569 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -72.91 -20.25 61.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.256 0.55 . . . . 0.0 109.953 178.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.558 ' HB3' ' O ' ' A' ' 55' ' ' PHE . 27.7 t70 -70.82 -34.58 71.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.107 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -76.37 -20.25 57.36 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.819 0.342 . . . . 0.0 110.628 176.046 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.46 21.9 3.88 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.458 -0.877 . . . . 0.0 112.944 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.888 ' HA3' ' HB2' ' A' ' 7' ' ' LYS . . . 110.91 -177.74 19.38 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.474 -0.87 . . . . 0.0 113.058 173.331 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.62 HD21 HG13 ' A' ' 12' ' ' VAL . 96.5 mt -59.29 -52.02 67.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.766 0.317 . . . . 0.0 111.732 -176.159 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 10.9 mm-40 -62.43 -31.27 71.94 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.453 -175.658 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.78 -39.5 87.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.934 0.397 . . . . 0.0 110.897 -179.161 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.516 HG21 HG23 ' A' ' 56' ' ' ILE . 98.7 t -68.4 -30.36 47.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.492 0.663 . . . . 0.0 110.305 178.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.48 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 73.5 mtp180 -70.14 -26.81 64.12 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.909 177.313 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' A' ' 63' ' ' GLU . 51.5 mt-30 -72.42 -35.64 68.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.428 174.596 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.738 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 46.4 mm-40 -58.53 -25.15 62.14 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.681 178.057 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.518 ' C ' ' HD2' ' A' ' 70' ' ' ARG . 21.0 mmt -61.1 -19.17 61.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.855 177.663 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.518 ' HD2' ' C ' ' A' ' 69' ' ' MET . 3.4 mpt_? -123.74 15.3 9.42 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 177.243 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.738 ' HB3' ' HA ' ' A' ' 68' ' ' GLU . 23.8 ttt180 -126.86 -83.35 0.62 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -174.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 0.994 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 -166.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.569 0 N-CA-C 111.606 -0.598 . . . . 0.0 111.606 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -120.06 97.62 5.69 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.106 0.479 . . . . 0.0 109.836 177.097 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 75' ' ' MET . . . . . . . . . . . . . 15.2 tpt -138.68 117.07 11.98 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.06 179.601 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 76' ' ' LEU . . . . . 0.949 HD23 ' HB3' ' B' ' 80' ' ' ALA . 9.0 tp -167.4 150.81 6.01 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 -178.277 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 77' ' ' PRO . . . . . 0.911 ' HD2' ' HG ' ' B' ' 76' ' ' LEU . 89.9 Cg_endo -80.71 11.52 2.91 Favored 'Trans proline' 0 C--O 1.234 0.325 0 C-N-CA 122.549 2.166 . . . . 0.0 113.761 -169.778 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -153.31 -170.01 3.48 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.414 0.626 . . . . 0.0 111.735 -177.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.834 HG13 HD13 ' A' ' 32' ' ' LEU . 2.0 p -61.2 -20.21 21.92 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 CA-C-N 114.741 -1.118 . . . . 0.0 113.071 -175.778 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.949 ' HB3' HD23 ' B' ' 76' ' ' LEU . . . -52.85 -38.47 61.54 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -176.474 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 81' ' ' GLN . . . . . 0.479 ' HG3' ' N ' ' B' ' 82' ' ' ARG . 7.3 pt20 -64.27 -37.91 89.17 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.346 0.594 . . . . 0.0 110.629 -178.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 82' ' ' ARG . . . . . 0.622 ' HG2' ' HE1' ' A' ' 55' ' ' PHE . 38.7 ttm180 -72.93 -16.15 61.55 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.896 -176.815 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 0.655 HD21 HD11 ' A' ' 38' ' ' ILE . 29.5 tp -90.18 -37.37 14.21 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.069 -177.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 84' ' ' MET . . . . . 0.495 ' HG3' ' O ' ' B' ' 80' ' ' ALA . 55.7 mtt -54.72 -41.03 69.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.318 178.088 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 85' ' ' GLN . . . . . 0.613 ' O ' ' HG2' ' B' ' 89' ' ' GLU . 2.5 tt0 -73.68 -40.77 63.42 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.855 -178.213 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 86' ' ' HIS . . . . . 0.635 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 48.9 t60 -57.05 -34.6 68.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.452 -175.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.537 ' HB3' ' CG1' ' B' ' 92' ' ' ILE . 27.1 mt -85.74 -42.38 14.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.027 0.442 . . . . 0.0 110.742 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.92 -33.69 64.91 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.269 -0.878 . . . . 0.0 112.095 -178.518 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.613 ' HG2' ' O ' ' B' ' 85' ' ' GLN . 18.8 mm-40 -58.78 -31.45 68.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.904 0.383 . . . . 0.0 111.697 179.346 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -93.5 -58.42 2.29 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.388 -175.161 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 147.45 29.1 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.226 -0.988 . . . . 0.0 113.277 179.249 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 92' ' ' ILE . . . . . 0.765 HD11 HD12 ' A' ' 51' ' ' LEU . 1.7 mp -55.19 139.83 13.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.956 0.408 . . . . 0.0 111.403 178.032 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -79.98 118.24 71.43 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.668 -176.583 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 94' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -70.2 135.95 30.65 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 123.026 2.484 . . . . 0.0 112.665 -173.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 95' ' ' ALA . . . . . 0.444 ' O ' ' HB3' ' A' ' 39' ' ' SER . . . -153.61 71.58 0.88 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.559 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 96' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' B' ' 96' ' ' ARG . 11.4 tpt180 -80.95 48.31 1.09 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.966 -178.283 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -153.28 148.59 26.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.727 -178.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 98' ' ' MET . . . . . . . . . . . . . 26.1 mmt -89.96 80.63 6.38 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.11 0.481 . . . . 0.0 111.055 -177.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -95.63 95.53 8.42 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.866 178.2 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -67.91 114.11 6.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.144 176.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 22.7 p80 -112.91 165.43 12.34 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.024 0.44 . . . . 0.0 110.551 -177.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 102' ' ' ILE . . . . . 0.45 ' HA ' ' HD3' ' B' ' 103' ' ' PRO . 56.7 mt -82.6 125.58 75.61 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.601 -175.483 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 103' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' B' ' 102' ' ' ILE . 11.3 Cg_exo -71.41 116.33 4.65 Favored 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.619 2.213 . . . . 0.0 110.97 174.676 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 104' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -86.42 140.08 6.2 Favored 'Trans proline' 0 N--CA 1.456 -0.722 0 C-N-CA 122.64 2.227 . . . . 0.0 113.097 -176.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -85.7 122.85 73.07 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.828 175.566 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 106' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -42.73 -61.29 0.57 Allowed 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 123.759 2.973 . . . . 0.0 112.899 -174.269 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 57.2 m-80 -146.3 -53.97 0.25 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.453 0.644 . . . . 0.0 109.274 175.033 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 78.9 t90 . . . . . 0 C--O 1.25 1.119 0 CA-C-N 115.353 -0.839 . . . . 0.0 109.925 -177.37 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.606 0 N-CA-C 112.073 -0.411 . . . . 0.0 112.073 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 50.2 m80 -129.39 124.31 33.88 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 178.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 22.2 ptp -76.99 140.01 40.27 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.35 -179.284 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.5 p -83.36 7.91 15.23 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.974 0.416 . . . . 0.0 111.412 -177.651 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 112.93 -124.24 6.54 Favored Glycine 0 N--CA 1.444 -0.773 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 -177.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.4 ' HB3' HG22 ' A' ' 9' ' ' VAL . 83.9 m-85 -112.02 99.29 7.97 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 178.732 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.3 pttm -73.89 75.89 1.64 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.091 0.472 . . . . 0.0 111.296 -177.548 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 46.7 p-80 41.85 50.07 4.04 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.027 0.931 . . . . 0.0 111.85 -177.217 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.4 HG22 ' HB3' ' A' ' 6' ' ' PHE . 30.8 m -79.2 10.84 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.119 -179.259 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.0 t 71.58 -48.25 0.67 Allowed 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 123.669 0.788 . . . . 0.0 112.147 176.09 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 23.2 t-80 -60.32 -40.0 89.03 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 175.643 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.516 HG22 HD11 ' A' ' 62' ' ' LEU . 61.6 t 56.07 -89.94 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 CA-C-N 114.835 -1.075 . . . . 0.0 111.637 174.287 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -168.67 26.44 0.12 Allowed Glycine 0 N--CA 1.441 -1.013 0 N-CA-C 108.866 -1.693 . . . . 0.0 108.866 174.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.45 ' CZ2' ' HA ' ' A' ' 16' ' ' PRO . 64.5 t90 -117.18 132.39 56.66 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 114.661 -0.769 . . . . 0.0 111.472 -170.17 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -111.69 132.82 21.72 Favored Pre-proline 0 C--N 1.32 -0.676 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 171.088 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.45 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 11.7 Cg_endo -54.21 -31.26 65.35 Favored 'Trans proline' 0 CA--C 1.528 0.188 0 C-N-CA 123.527 2.818 . . . . 0.0 114.02 -173.711 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -106.04 -34.4 7.58 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.998 0.369 . . . . 0.0 111.998 -177.141 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -94.92 -9.52 33.9 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -173.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.68 -163.19 38.35 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 121.018 -0.61 . . . . 0.0 112.375 178.483 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.53 ' HE2' ' HB ' ' A' ' 52' ' ' ILE . 67.5 m-85 -73.33 142.54 47.09 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 175.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.482 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 12.8 t70 -83.93 114.29 21.58 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 174.242 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.634 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 24.4 m -71.48 -21.63 21.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 -169.71 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -96.19 -15.84 21.82 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.465 178.099 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.429 ' HB2' ' HB3' ' A' ' 21' ' ' ASP . 86.0 m-20 -102.04 14.01 33.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.927 0.394 . . . . 0.0 110.243 172.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.634 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 17.9 mt -65.82 147.41 53.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.179 178.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.478 ' HB3' HD12 ' A' ' 29' ' ' LEU . 20.9 t70 -83.69 135.48 43.12 Favored Pre-proline 0 C--N 1.32 -0.674 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.525 178.089 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -42.54 -52.94 4.08 Favored 'Trans proline' 0 C--O 1.237 0.463 0 C-N-CA 123.335 2.69 . . . . 0.0 113.671 -177.192 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -69.67 -40.14 76.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.115 -176.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.504 HD21 HD22 ' A' ' 62' ' ' LEU . 89.8 mt -57.59 -47.23 82.68 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-O 121.114 0.483 . . . . 0.0 109.926 174.362 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -58.85 -44.39 90.97 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.334 -178.237 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.403 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 8.2 t -58.78 -49.51 77.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.495 0.664 . . . . 0.0 110.088 176.633 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.818 HD21 HG13 ' B' ' 79' ' ' VAL . 0.6 OUTLIER -61.58 -56.5 19.21 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.655 -1.157 . . . . 0.0 111.49 -174.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.479 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 14.4 m-30 -55.56 -39.78 71.08 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.763 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.1 t -62.2 -35.8 79.97 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.972 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.403 ' HG3' ' O ' ' A' ' 31' ' ' SER . 99.8 mtt180 -69.65 -40.74 76.29 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 121.016 0.436 . . . . 0.0 110.621 178.269 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.538 ' O ' ' HG2' ' B' ' 84' ' ' MET . . . -64.36 -29.64 70.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.261 -177.107 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.44 -12.54 21.26 Favored Glycine 0 N--CA 1.45 -0.429 0 N-CA-C 111.426 -0.67 . . . . 0.0 111.426 -177.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.59 HD13 ' CD1' ' A' ' 52' ' ' ILE . 43.9 mt -62.72 105.21 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-O 121.118 0.485 . . . . 0.0 110.342 178.796 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.6 m -81.1 169.34 17.56 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.403 -177.117 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.507 ' HG3' HG11 ' A' ' 22' ' ' VAL . 43.1 tt0 -50.77 -45.13 58.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.569 -178.396 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.4 -53.96 51.17 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.957 177.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.719 ' HB3' HG21 ' A' ' 48' ' ' THR . 54.5 mt-30 -53.38 -36.04 60.97 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.031 179.141 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.452 HD13 HD11 ' A' ' 25' ' ' LEU . 64.1 mt -72.06 -10.92 60.45 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.322 179.591 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.8 p -113.28 16.34 19.07 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.476 0.655 . . . . 0.0 109.824 174.362 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -97.45 147.1 24.57 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.168 174.217 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.77 -68.55 0.35 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -171.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.544 ' H ' ' CD ' ' A' ' 47' ' ' GLU . 1.3 pm0 -64.34 -39.77 94.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.114 -173.181 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.719 HG21 ' HB3' ' A' ' 42' ' ' GLN . 3.6 m -53.54 -58.04 8.57 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.158 176.759 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 27.9 m -63.47 -36.34 83.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.723 -176.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 47.4 tttp -61.55 -43.58 98.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.867 0.365 . . . . 0.0 110.261 -179.491 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.682 HD22 HG13 ' B' ' 92' ' ' ILE . 5.2 mp -65.45 -42.42 92.38 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.284 177.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.619 HG13 ' O ' ' A' ' 48' ' ' THR . 57.9 mt -57.4 -48.21 83.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.5 177.421 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -62.25 -44.68 96.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.059 0.457 . . . . 0.0 110.236 179.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.28 -47.46 78.55 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.5 174.366 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.601 ' HE1' ' HG3' ' B' ' 82' ' ' ARG . 56.8 t80 -54.23 -51.03 65.75 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.994 176.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.677 HG21 HD23 ' A' ' 62' ' ' LEU . 94.6 mt -59.46 -43.21 90.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.103 -177.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -68.9 -32.86 72.8 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.994 0.426 . . . . 0.0 110.259 179.323 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -66.62 -34.12 77.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.678 178.193 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 84.7 mm-40 -80.94 -10.94 59.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.951 179.224 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.67 -14.79 10.62 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.653 -0.784 . . . . 0.0 113.534 176.203 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.491 ' O ' HG13 ' A' ' 65' ' ' VAL . . . 132.8 -172.19 21.41 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.321 -0.942 . . . . 0.0 112.762 178.573 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.677 HD23 HG21 ' A' ' 56' ' ' ILE . 70.1 mt -66.68 -58.81 4.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.897 0.379 . . . . 0.0 111.175 -174.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.618 ' HA ' ' HD2' ' A' ' 66' ' ' ARG . 2.3 mp0 -62.55 -26.31 68.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.404 -178.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.521 ' O ' ' HG2' ' A' ' 68' ' ' GLU . . . -64.15 -52.66 57.97 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.198 177.818 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.574 ' HA ' ' CG ' ' A' ' 68' ' ' GLU . 2.1 m -70.24 -21.53 23.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.222 -179.086 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.618 ' HD2' ' HA ' ' A' ' 63' ' ' GLU . 92.6 mtt180 -60.69 -37.14 80.67 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-O 121.125 0.488 . . . . 0.0 110.099 171.352 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -75.39 -38.2 60.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.462 -179.08 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.869 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 4.4 mm-40 -54.98 -31.88 61.18 Favored 'General case' 0 C--N 1.331 -0.215 0 O-C-N 123.491 0.494 . . . . 0.0 111.235 179.722 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.647 ' HA ' ' OD1' ' B' ' 78' ' ' ASP . 37.0 mtt -50.08 -33.81 19.7 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.47 176.175 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -122.82 28.83 7.08 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.339 176.3 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.869 ' HB3' ' HA ' ' A' ' 68' ' ' GLU . 33.8 ttt180 -134.05 -74.77 0.48 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -174.797 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 . . . . . 0 C--O 1.254 1.334 0 CA-C-O 118.338 -0.839 . . . . 0.0 111.725 -172.046 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.796 0 N-CA-C 111.837 -0.505 . . . . 0.0 111.837 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 6.2 m80 65.63 174.86 0.22 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.302 0.572 . . . . 0.0 110.945 -177.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 75' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -141.49 -163.85 1.65 Allowed 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 178.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 76' ' ' LEU . . . . . 0.794 ' HG ' ' HD2' ' B' ' 77' ' ' PRO . 9.1 tp 73.77 147.66 0.12 Allowed Pre-proline 0 CA--C 1.533 0.294 0 O-C-N 123.972 0.795 . . . . 0.0 110.251 179.35 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 77' ' ' PRO . . . . . 0.794 ' HD2' ' HG ' ' B' ' 76' ' ' LEU . 42.3 Cg_endo -93.83 26.18 0.36 Allowed 'Trans proline' 0 N--CA 1.454 -0.817 0 C-N-CA 123.148 2.565 . . . . 0.0 111.63 -174.658 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 78' ' ' ASP . . . . . 0.647 ' OD1' ' HA ' ' A' ' 69' ' ' MET . 18.0 t0 -154.67 159.25 40.64 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.348 -168.335 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.818 HG13 HD21 ' A' ' 32' ' ' LEU . 3.4 p -62.66 -10.84 5.86 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 CA-C-N 114.555 -1.202 . . . . 0.0 111.26 -179.782 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.664 ' HB3' HD23 ' B' ' 76' ' ' LEU . . . -53.79 -51.87 62.11 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 112.802 0.668 . . . . 0.0 112.802 179.1 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 81' ' ' GLN . . . . . 0.518 ' HB2' ' HB3' ' B' ' 76' ' ' LEU . 1.1 tm0? -68.02 -37.24 81.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.917 0.389 . . . . 0.0 111.172 -175.164 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 82' ' ' ARG . . . . . 0.601 ' HG3' ' HE1' ' A' ' 55' ' ' PHE . 21.5 tpp180 -55.55 -38.2 69.0 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.563 0.697 . . . . 0.0 109.865 174.313 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 0.531 HD13 ' CD2' ' A' ' 55' ' ' PHE . 45.2 tp -75.95 -40.19 54.54 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.166 -0.924 . . . . 0.0 111.506 -178.589 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 84' ' ' MET . . . . . 0.538 ' HG2' ' O ' ' A' ' 36' ' ' ALA . 66.2 mtt -48.97 -54.03 17.31 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.32 0.581 . . . . 0.0 111.256 -179.193 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -67.53 -29.6 69.04 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.65 -175.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 86' ' ' HIS . . . . . 0.482 ' HA ' ' OE1' ' B' ' 89' ' ' GLU . 61.9 t60 -67.99 -20.76 65.06 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -176.029 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.714 HD12 HG21 ' B' ' 92' ' ' ILE . 1.9 mm? -85.1 -43.26 14.05 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.375 -0.53 . . . . 0.0 110.365 174.49 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.23 -20.38 66.4 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.15 -176.047 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.482 ' OE1' ' HA ' ' B' ' 86' ' ' HIS . 9.7 pt-20 -78.38 -10.71 59.8 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -175.544 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 90' ' ' HIS . . . . . 0.463 ' HB2' HD21 ' A' ' 51' ' ' LEU . 59.7 m80 -124.62 16.22 8.81 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 113.113 0.783 . . . . 0.0 113.113 -175.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 63.38 44.57 96.62 Favored Glycine 0 N--CA 1.458 0.115 0 C-N-CA 120.346 -0.93 . . . . 0.0 112.076 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 92' ' ' ILE . . . . . 0.714 HG21 HD12 ' B' ' 87' ' ' LEU . 37.8 mm -82.59 144.93 9.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 C-N-CA 123.136 0.575 . . . . 0.0 110.098 -178.529 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -73.72 113.43 22.72 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-O 121.055 0.455 . . . . 0.0 110.829 -176.511 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 94' ' ' PRO . . . . . 0.625 ' HA ' ' NE2' ' A' ' 42' ' ' GLN . 87.2 Cg_endo -92.93 146.55 2.49 Favored 'Trans proline' 0 N--CA 1.451 -0.998 0 C-N-CA 123.312 2.675 . . . . 0.0 113.594 -177.726 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 95' ' ' ALA . . . . . 0.503 ' HA ' ' O ' ' B' ' 98' ' ' MET . . . -98.71 3.73 47.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.837 0.827 . . . . 0.0 108.942 170.5 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 5.0 tpt85 -62.05 -36.03 80.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.29 -1.323 . . . . 0.0 110.014 178.215 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 97' ' ' ASN . . . . . 0.417 ' O ' ' HB2' ' B' ' 98' ' ' MET . 3.1 p30 -135.67 96.75 3.5 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.319 176.734 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 98' ' ' MET . . . . . 0.503 ' O ' ' HA ' ' B' ' 95' ' ' ALA . 90.7 mmm 67.82 -177.06 0.2 Allowed 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.127 -173.605 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -157.37 90.19 1.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.818 0.342 . . . . 0.0 110.891 -179.426 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -84.07 81.25 8.88 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 176.074 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -88.96 102.26 14.89 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.252 -0.885 . . . . 0.0 109.073 -179.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 102' ' ' ILE . . . . . 0.419 ' HA ' ' HD3' ' B' ' 103' ' ' PRO . 63.2 mt -64.75 117.98 43.82 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.838 -172.615 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 103' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' B' ' 102' ' ' ILE . 16.2 Cg_exo -68.97 132.46 24.67 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 123.14 2.56 . . . . 0.0 111.423 176.46 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 104' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -59.5 123.7 13.91 Favored 'Trans proline' 0 C--O 1.235 0.362 0 C-N-CA 122.61 2.207 . . . . 0.0 112.024 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 105' ' ' ALA . . . . . 0.49 ' HA ' ' HD3' ' B' ' 106' ' ' PRO . . . -63.39 136.91 96.91 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.492 178.502 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 106' ' ' PRO . . . . . 0.49 ' HD3' ' HA ' ' B' ' 105' ' ' ALA . 12.3 Cg_exo -70.54 72.49 1.82 Allowed 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 123.17 2.58 . . . . 0.0 112.413 -178.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 64.8 t30 69.78 172.05 0.3 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.937 177.322 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 43.1 m95 . . . . . 0 C--O 1.252 1.227 0 CA-C-O 118.387 -0.816 . . . . 0.0 109.545 177.411 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.583 0 N-CA-C 111.859 -0.496 . . . . 0.0 111.859 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 50.8 m-70 -83.29 89.37 6.99 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 122.616 -0.343 . . . . 0.0 111.022 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 15.2 tpt -93.11 1.26 57.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.916 0.865 . . . . 0.0 109.112 174.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.1 p -63.0 -22.64 66.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.807 -1.088 . . . . 0.0 111.208 178.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 112.82 -5.72 25.87 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.13 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -70.57 83.68 0.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.244 0.545 . . . . 0.0 111.597 -179.548 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -158.89 99.2 1.52 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.676 173.414 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 57.7 44.27 20.81 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 121.773 0.796 . . . . 0.0 110.732 -178.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.9 m -116.94 105.38 18.14 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.855 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.093 176.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.6 m -78.97 17.03 0.79 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.329 0.585 . . . . 0.0 110.711 178.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.417 ' O ' ' N ' ' A' ' 13' ' ' GLY . 35.2 m80 -95.27 -34.55 12.15 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 168.112 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.634 HG22 HD21 ' A' ' 62' ' ' LEU . 10.5 t 60.18 -72.37 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 O-C-N 124.526 1.142 . . . . 0.0 112.686 173.568 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 11' ' ' HIS . . . 161.97 37.17 0.02 OUTLIER Glycine 0 N--CA 1.442 -0.904 0 N-CA-C 107.762 -2.135 . . . . 0.0 107.762 -173.113 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.561 ' CZ2' ' HA ' ' A' ' 16' ' ' PRO . 57.3 t90 -126.65 143.25 51.29 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 113.93 -1.135 . . . . 0.0 110.582 -167.11 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.589 ' HB3' ' HB2' ' A' ' 18' ' ' ASN . 9.5 t70 -125.18 134.12 25.46 Favored Pre-proline 0 C--N 1.32 -0.683 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 174.64 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.561 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 3.3 Cg_endo -45.48 -49.23 10.76 Favored 'Trans proline' 0 CA--C 1.53 0.303 0 C-N-CA 124.09 3.193 . . . . 0.0 114.503 -171.21 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -103.07 -1.07 29.79 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 120.743 0.306 . . . . 0.0 111.711 -173.584 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.589 ' HB2' ' HB3' ' A' ' 15' ' ' ASP . 91.9 m-20 -112.41 -25.59 9.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.848 0.356 . . . . 0.0 111.734 -179.179 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.677 ' HA3' ' HA ' ' A' ' 44' ' ' THR . . . 96.7 -167.62 24.51 Favored Glycine 0 N--CA 1.442 -0.917 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.403 178.131 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.435 ' CD1' ' HB2' ' A' ' 14' ' ' TRP . 73.9 m-85 -76.42 140.53 41.35 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 178.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -71.44 97.68 1.68 Allowed 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 173.472 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.638 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 16.3 m -66.13 -6.71 4.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.754 -178.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -98.89 -9.86 23.64 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.21 175.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -117.88 13.97 14.14 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.238 179.156 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.638 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 19.4 mt -65.69 132.13 48.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.457 -175.677 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.411 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 15.6 t70 -72.91 138.25 79.63 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.041 -0.982 . . . . 0.0 109.624 175.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 26' ' ' ASP . 73.7 Cg_exo -49.74 -23.75 8.81 Favored 'Trans proline' 0 CA--C 1.531 0.342 0 C-N-CA 123.924 3.082 . . . . 0.0 114.191 -178.766 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -85.12 -44.65 12.79 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 179.226 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.2 mp -55.57 -46.68 77.18 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.103 0.478 . . . . 0.0 110.675 169.565 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -56.75 -33.84 66.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.184 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.402 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 23.0 t -70.44 -55.77 8.23 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.324 176.61 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.625 ' CD1' HG13 ' B' ' 79' ' ' VAL . 55.0 tp -59.91 -54.12 49.93 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.619 -0.718 . . . . 0.0 112.537 -171.043 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.506 ' HB3' ' HB ' ' A' ' 38' ' ' ILE . 14.6 m-30 -63.62 -36.2 83.03 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.751 -170.436 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 25.9 m -64.39 -36.78 85.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.882 176.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 31' ' ' SER . 78.4 mtp180 -76.27 -26.32 55.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.128 0.49 . . . . 0.0 110.076 178.64 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.32 -4.31 58.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.164 -0.926 . . . . 0.0 111.437 -177.122 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.93 -2.28 87.07 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.042 178.32 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.666 HD11 HD13 ' B' ' 83' ' ' LEU . 37.1 mt -70.33 105.2 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 CA-C-O 120.942 0.401 . . . . 0.0 110.185 177.099 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.5 t -81.19 171.24 15.12 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.78 177.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.497 ' HG3' HG11 ' A' ' 22' ' ' VAL . 30.2 tt0 -53.63 -38.6 64.22 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.951 0.405 . . . . 0.0 111.055 -177.179 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.415 ' O ' ' HE1' ' B' ' 101' ' ' HIS . . . -60.71 -49.56 77.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.04 178.633 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.63 ' HB3' HG21 ' A' ' 48' ' ' THR . 38.6 mt-30 -59.28 -36.68 76.01 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.639 0.257 . . . . 0.0 111.612 -179.061 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.463 ' HG ' HG22 ' A' ' 38' ' ' ILE . 55.6 mt -66.36 -21.98 66.25 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 121.036 -0.265 . . . . 0.0 111.167 178.563 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.677 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 22.8 p -112.63 20.88 16.16 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.294 0.568 . . . . 0.0 110.415 179.526 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.656 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 27.5 t70 -98.54 134.54 41.35 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.209 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.9 -62.45 1.64 Allowed 'General case' 0 C--O 1.236 0.388 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -170.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -70.39 -47.68 59.73 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 121.127 -0.229 . . . . 0.0 111.154 -178.23 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.656 ' HB ' ' HB3' ' A' ' 45' ' ' ASP . 19.2 m -54.68 -53.27 57.05 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.2 t -63.98 -48.38 76.66 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.738 -172.514 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -65.85 -29.1 69.5 Favored 'General case' 0 C--N 1.334 -0.093 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.76 -177.28 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.69 HD12 HD11 ' B' ' 92' ' ' ILE . 68.1 mt -82.48 -24.29 34.28 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 121.031 -0.267 . . . . 0.0 111.484 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.591 HD13 HD13 ' A' ' 38' ' ' ILE . 75.1 mt -64.02 -45.83 95.6 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.228 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 165.028 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -59.15 -48.01 83.18 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.366 176.293 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.568 ' HB3' ' HA ' ' A' ' 51' ' ' LEU . 3.4 t70 -55.41 -41.67 73.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.698 174.528 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.553 ' HB3' ' O ' ' A' ' 52' ' ' ILE . 70.0 t80 -56.96 -51.94 67.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.658 176.24 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 77.6 mt -64.71 -41.28 91.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.026 -177.635 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -65.12 -38.7 91.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.316 177.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -60.16 -34.42 73.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.43 -179.028 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 25.2 mm-40 -79.3 -10.7 59.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.134 -177.135 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 112.64 19.84 6.79 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.469 -179.194 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 103.84 178.62 25.64 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.547 176.145 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.634 HD21 HG22 ' A' ' 12' ' ' VAL . 9.5 mp -59.82 -38.77 82.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.994 0.426 . . . . 0.0 111.216 -178.671 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.567 ' HA ' ' HD3' ' A' ' 66' ' ' ARG . 17.8 mm-40 -60.03 -28.2 67.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.004 -176.19 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.685 ' O ' ' HG2' ' A' ' 68' ' ' GLU . . . -71.88 -53.22 13.86 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.212 -179.541 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.532 ' HA ' ' CG ' ' A' ' 68' ' ' GLU . 53.5 t -57.44 -35.72 50.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.159 -179.518 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.567 ' HD3' ' HA ' ' A' ' 63' ' ' GLU . 45.0 mtp180 -58.82 -28.91 66.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.528 177.059 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.487 ' O ' ' HG2' ' A' ' 70' ' ' ARG . 51.3 mt-30 -93.38 -25.94 17.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.648 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.788 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 3.6 mm-40 -63.07 -28.65 70.23 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.055 0.455 . . . . 0.0 110.344 176.502 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 13.5 mmt -52.6 -25.27 10.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.522 173.354 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.487 ' HG2' ' O ' ' A' ' 67' ' ' GLN . 6.3 ptp180 -121.81 15.84 10.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.215 0.531 . . . . 0.0 109.912 177.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.788 ' HB3' ' HA ' ' A' ' 68' ' ' GLU . 4.1 tmt_? -128.17 -79.94 0.58 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.546 -176.364 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.526 ' HB3' ' HD3' ' A' ' 71' ' ' ARG . 16.5 tp60 . . . . . 0 C--O 1.245 0.852 0 CA-C-O 117.652 -1.166 . . . . 0.0 108.85 -176.423 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.638 0 N-CA-C 112.702 -0.159 . . . . 0.0 112.702 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 74' ' ' HIS . . . . . 0.481 ' HB3' ' HB2' ' B' ' 81' ' ' GLN . 67.2 m80 -82.6 67.36 8.62 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.011 0.434 . . . . 0.0 110.025 179.452 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 75' ' ' MET . . . . . 0.45 ' C ' HD22 ' B' ' 76' ' ' LEU . 20.3 mmt -85.6 32.62 0.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.548 -177.647 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 76' ' ' LEU . . . . . 0.768 ' HB2' ' HB3' ' B' ' 81' ' ' GLN . 3.6 mm? -122.99 135.75 26.18 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -175.131 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -93.86 6.77 2.64 Favored 'Trans proline' 0 N--CA 1.455 -0.744 0 C-N-CA 123.521 2.814 . . . . 0.0 111.769 174.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -118.78 -168.87 1.62 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.306 -172.292 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.625 HG13 ' CD1' ' A' ' 32' ' ' LEU . 8.1 p -66.83 -6.62 4.74 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 CA-C-N 114.931 -1.032 . . . . 0.0 111.117 178.747 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.572 ' HB3' ' HG ' ' B' ' 76' ' ' LEU . . . -68.48 -50.49 51.98 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.929 -179.562 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 81' ' ' GLN . . . . . 0.768 ' HB3' ' HB2' ' B' ' 76' ' ' LEU . 0.0 OUTLIER -65.65 -24.86 67.13 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 122.075 0.941 . . . . 0.0 109.39 177.757 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 82' ' ' ARG . . . . . 0.402 ' HB3' ' O ' ' B' ' 79' ' ' VAL . 56.6 ttt180 -72.76 -16.3 61.65 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 113.666 -1.606 . . . . 0.0 110.4 -177.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 0.666 HD13 HD11 ' A' ' 38' ' ' ILE . 1.1 mt -87.67 -37.66 16.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.707 179.701 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 54.7 mtt -54.77 -42.0 71.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.19 177.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -66.0 -43.11 88.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.069 178.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 86' ' ' HIS . . . . . 0.48 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 48.7 t60 -71.75 -20.5 61.87 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 111.938 0.348 . . . . 0.0 111.938 -173.613 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.445 ' HG ' HG23 ' A' ' 48' ' ' THR . 0.0 OUTLIER -87.24 -43.58 12.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.07 0.462 . . . . 0.0 110.311 173.828 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.95 -32.99 71.33 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.549 -178.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.573 ' HG3' ' CD2' ' B' ' 90' ' ' HIS . 8.7 pt-20 -72.11 -6.42 42.43 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -177.198 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 90' ' ' HIS . . . . . 0.573 ' CD2' ' HG3' ' B' ' 89' ' ' GLU . 96.1 m-70 -129.04 13.5 6.24 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.457 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 73.37 30.22 62.86 Favored Glycine 0 CA--C 1.521 0.423 0 C-N-CA 120.695 -0.764 . . . . 0.0 113.879 174.462 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 92' ' ' ILE . . . . . 0.69 HD11 HD12 ' A' ' 51' ' ' LEU . 1.6 mp -60.73 153.08 5.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 C-N-CA 122.732 0.413 . . . . 0.0 110.772 172.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -88.35 101.96 3.26 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.182 175.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 94' ' ' PRO . . . . . 0.527 ' HD3' ' O ' ' B' ' 92' ' ' ILE . 63.2 Cg_endo -76.1 112.77 3.56 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 122.367 2.045 . . . . 0.0 112.339 -176.274 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.27 31.82 0.39 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.379 -179.326 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -91.49 8.13 37.95 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.989 175.25 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -159.24 -77.24 0.07 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.987 175.543 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 98' ' ' MET . . . . . . . . . . . . . 14.8 tpt -156.28 79.47 0.97 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.204 0.525 . . . . 0.0 110.433 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -159.19 106.08 1.75 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.87 178.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 100' ' ' GLU . . . . . 0.424 ' HB3' ' H ' ' B' ' 101' ' ' HIS . 86.0 mt-10 -135.38 -153.57 0.52 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.446 -179.474 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 101' ' ' HIS . . . . . 0.424 ' H ' ' HB3' ' B' ' 100' ' ' GLU . 5.7 m-70 -72.3 -32.76 66.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.428 0.633 . . . . 0.0 109.821 -176.795 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 47.3 mm -90.26 115.52 64.24 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 115.056 -0.975 . . . . 0.0 109.977 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -71.24 123.66 9.79 Favored 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 122.859 2.373 . . . . 0.0 111.59 178.592 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 104' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.35 113.83 1.77 Allowed 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.717 2.278 . . . . 0.0 111.739 -179.315 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 105' ' ' ALA . . . . . 0.489 ' HA ' ' HD3' ' B' ' 106' ' ' PRO . . . -75.6 126.2 87.67 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.986 -176.794 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 106' ' ' PRO . . . . . 0.489 ' HD3' ' HA ' ' B' ' 105' ' ' ALA . 17.2 Cg_exo -67.39 -39.39 12.8 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.896 2.397 . . . . 0.0 111.523 177.378 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 107' ' ' ASN . . . . . 0.46 ' HB2' ' O ' ' B' ' 106' ' ' PRO . 59.8 t30 172.77 -57.04 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.077 173.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 71.2 m95 . . . . . 0 C--O 1.247 0.927 0 CA-C-O 118.691 -0.671 . . . . 0.0 109.852 177.17 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.624 0 N-CA-C 112.024 -0.431 . . . . 0.0 112.024 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 83.5 t60 69.94 100.07 0.06 Allowed 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.036 0.534 . . . . 0.0 110.908 -178.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 85.0 mtp -87.75 -156.01 0.33 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.197 177.428 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.9 m -78.78 -41.77 29.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.155 0.502 . . . . 0.0 110.725 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 82.65 -142.12 21.59 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.788 -0.72 . . . . 0.0 111.95 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.872 ' HD2' ' HA ' ' A' ' 9' ' ' VAL . 19.6 t80 -103.27 -7.74 20.9 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 177.263 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.469 ' HE3' ' OE2' ' A' ' 57' ' ' GLU . 37.7 ttpt 66.78 -73.57 0.07 Allowed 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.125 179.662 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 49.2 p-80 -88.9 48.58 1.65 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.726 0.774 . . . . 0.0 109.459 175.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.872 ' HA ' ' HD2' ' A' ' 6' ' ' PHE . 7.4 p -75.76 -30.46 21.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.241 -0.89 . . . . 0.0 109.84 -170.59 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 57.9 m -62.69 -20.52 64.95 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.466 -1.243 . . . . 0.0 110.999 173.187 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.561 ' HA ' ' OH ' ' A' ' 53' ' ' TYR . 35.4 m80 61.28 19.36 10.06 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 115.098 -0.956 . . . . 0.0 108.458 -163.702 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.504 HG21 HD11 ' A' ' 29' ' ' LEU . 7.2 p 45.11 -65.43 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 O-C-N 125.188 1.555 . . . . 0.0 113.909 -169.48 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.429 ' H ' HG13 ' A' ' 12' ' ' VAL . . . -177.57 33.89 0.08 OUTLIER Glycine 0 N--CA 1.445 -0.741 0 N-CA-C 110.302 -1.119 . . . . 0.0 110.302 -179.377 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 84.2 t90 -115.78 132.77 56.54 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.3 -0.45 . . . . 0.0 111.071 -174.413 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -121.87 144.61 41.37 Favored Pre-proline 0 C--N 1.323 -0.575 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 172.616 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -52.31 -37.07 70.59 Favored 'Trans proline' 0 N--CA 1.477 0.533 0 C-N-CA 123.955 3.104 . . . . 0.0 115.676 -167.435 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -98.42 -44.29 6.57 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -174.022 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.467 ' O ' ' HA ' ' A' ' 44' ' ' THR . 3.3 p-10 -93.05 -0.58 57.09 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.742 -174.543 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 75.51 -137.1 21.26 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.722 -0.752 . . . . 0.0 113.05 175.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.52 ' HE2' ' HB ' ' A' ' 52' ' ' ILE . 65.4 m-85 -85.02 135.37 34.04 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.034 0.445 . . . . 0.0 110.622 -178.242 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.436 ' OD1' ' HB3' ' A' ' 23' ' ' ASN . 12.0 t70 -73.27 97.63 2.5 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 175.178 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.633 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 7.4 p -60.19 -25.34 33.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.644 -175.689 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.436 ' HB3' ' OD1' ' A' ' 21' ' ' ASP . 28.2 t-20 -69.29 -41.28 76.99 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.015 0.436 . . . . 0.0 110.425 178.268 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -98.7 18.5 16.73 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.767 -176.535 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.633 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 23.9 mt -65.8 129.99 41.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.265 0.555 . . . . 0.0 111.199 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -67.64 136.57 92.81 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.325 173.075 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -48.95 -30.89 18.8 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 123.974 3.116 . . . . 0.0 113.824 -179.522 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -77.16 -41.32 42.15 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 110.46 -0.2 . . . . 0.0 110.46 178.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.504 HD11 HG21 ' A' ' 12' ' ' VAL . 98.1 mt -64.36 -45.58 87.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.982 0.42 . . . . 0.0 110.151 175.651 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.9 tpt85 -54.56 -42.55 71.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.394 178.064 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.9 t -61.98 -53.64 52.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.09 177.655 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.502 ' HB2' ' HE2' ' A' ' 69' ' ' MET . 20.8 tp -57.42 -57.47 12.53 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 116.004 -0.544 . . . . 0.0 112.299 -175.011 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.434 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 18.4 m-30 -58.46 -41.9 86.23 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.716 -169.329 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.9 m -67.94 -29.6 68.7 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.458 178.446 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.446 HH11 ' HD2' ' A' ' 35' ' ' ARG . 14.9 mtp180 -71.38 -28.03 63.75 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.127 0.489 . . . . 0.0 110.485 174.233 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.47 1.5 54.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.615 -176.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.25 -20.85 45.62 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 121.243 -0.504 . . . . 0.0 111.872 -179.209 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.69 HD13 HD13 ' A' ' 52' ' ' ILE . 14.7 mt -62.58 105.53 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.144 0.497 . . . . 0.0 110.556 -179.725 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.7 m -94.58 -174.9 3.45 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.937 -178.081 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -51.23 -50.38 59.26 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 122.727 0.411 . . . . 0.0 111.512 -177.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.11 -50.01 72.27 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.496 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.633 ' HB3' HG21 ' A' ' 48' ' ' THR . 42.2 mt-30 -61.4 -33.92 74.49 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -177.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.53 HD13 HD11 ' A' ' 25' ' ' LEU . 39.5 mt -74.11 -13.8 60.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.718 0.294 . . . . 0.0 111.355 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.467 ' HA ' ' O ' ' A' ' 18' ' ' ASN . 3.6 p -115.08 19.22 15.87 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.394 0.616 . . . . 0.0 110.344 176.587 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.01 143.66 32.28 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.439 176.142 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.79 -69.1 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -172.63 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -60.94 -45.65 93.86 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.408 -173.117 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.633 HG21 ' HB3' ' A' ' 42' ' ' GLN . 16.8 m -51.97 -59.9 3.81 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 178.286 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.9 m -62.79 -35.91 81.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.821 -174.474 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -61.01 -39.92 91.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.936 0.398 . . . . 0.0 110.48 -178.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.552 HD12 HD11 ' B' ' 92' ' ' ILE . 63.9 mt -73.97 -36.54 64.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.142 179.427 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.69 HD13 HD13 ' A' ' 38' ' ' ILE . 28.8 mt -61.16 -44.24 97.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.935 0.398 . . . . 0.0 110.473 176.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.561 ' OH ' ' HA ' ' A' ' 11' ' ' HIS . 17.6 t80 -65.93 -40.81 91.73 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.936 179.131 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -60.17 -40.69 90.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.34 173.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.68 ' CZ ' HG12 ' B' ' 79' ' ' VAL . 38.9 t80 -59.84 -49.61 77.03 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.164 177.55 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.463 HG12 HG21 ' A' ' 65' ' ' VAL . 96.5 mt -57.82 -45.35 87.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.658 179.383 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.469 ' OE2' ' HE3' ' A' ' 7' ' ' LYS . 10.1 mm-40 -65.4 -40.39 93.36 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.333 176.304 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -63.27 -31.66 72.87 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.776 -178.22 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -78.53 0.17 27.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.995 0.426 . . . . 0.0 111.451 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.43 -14.97 10.78 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.354 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 133.79 178.91 15.91 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.669 178.005 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.41 ' O ' ' HG3' ' A' ' 66' ' ' ARG . 22.7 tp -60.09 -31.08 69.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.659 0.266 . . . . 0.0 111.624 -176.178 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.487 ' O ' ' HG2' ' A' ' 67' ' ' GLN . 1.8 tt0 -70.86 -42.43 70.12 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.862 -178.381 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.479 ' O ' ' HG3' ' A' ' 68' ' ' GLU . . . -59.56 -41.56 90.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.419 -174.702 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.606 HG13 HG11 ' B' ' 79' ' ' VAL . 82.7 t -63.69 -39.22 84.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.559 -178.028 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 66' ' ' ARG . 30.4 mtp180 -66.19 -29.99 70.37 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.386 179.199 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.487 ' HG2' ' O ' ' A' ' 63' ' ' GLU . 15.4 mm-40 -74.8 -36.63 62.46 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.319 -179.119 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 1.009 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 19.1 mt-10 -62.14 -23.04 66.33 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.802 -175.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.502 ' HE2' ' HB2' ' A' ' 32' ' ' LEU . 12.4 mmt -56.26 -36.69 68.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.443 0.64 . . . . 0.0 110.815 177.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.74 33.5 5.31 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.334 179.391 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 1.009 ' HB3' ' HA ' ' A' ' 68' ' ' GLU . 28.6 ttt180 -118.25 -67.83 0.96 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.628 -178.278 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 . . . . . 0 C--O 1.249 1.038 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.113 -170.21 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.8 0 N-CA-C 112.601 -0.2 . . . . 0.0 112.601 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 74' ' ' HIS . . . . . 0.809 ' HB3' ' HB2' ' B' ' 81' ' ' GLN . 79.8 m-70 -143.25 59.13 1.4 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 176.623 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 75' ' ' MET . . . . . 0.538 ' CE ' ' HA ' ' B' ' 75' ' ' MET . 2.6 tpt -79.01 55.77 1.84 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.276 0.56 . . . . 0.0 111.463 -173.105 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 76' ' ' LEU . . . . . 0.845 ' HB2' ' HB3' ' B' ' 81' ' ' GLN . 3.6 mm? -118.26 125.45 27.88 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.621 177.169 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -85.66 34.39 0.48 Allowed 'Trans proline' 0 N--CA 1.46 -0.444 0 C-N-CA 123.048 2.498 . . . . 0.0 112.139 -179.403 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -163.88 -168.11 1.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.972 0.415 . . . . 0.0 111.618 -174.137 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.68 HG12 ' CZ ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -46.41 -34.52 2.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 114.799 -1.091 . . . . 0.0 112.891 176.489 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -54.83 -41.42 70.67 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 -170.514 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 81' ' ' GLN . . . . . 0.845 ' HB3' ' HB2' ' B' ' 76' ' ' LEU . 28.3 pt20 -69.7 -32.82 71.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.548 0.689 . . . . 0.0 109.75 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 82' ' ' ARG . . . . . 0.454 ' HG3' ' HE1' ' A' ' 55' ' ' PHE . 17.2 tpt180 -76.13 -15.2 60.12 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.632 -1.167 . . . . 0.0 109.947 -176.266 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 0.53 HD13 ' CD1' ' A' ' 38' ' ' ILE . 1.7 mt -84.12 -39.12 19.87 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.078 -179.597 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 63.8 mtt -58.65 -35.28 72.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.156 0.503 . . . . 0.0 109.797 178.336 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -73.55 -36.16 65.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.592 178.208 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 86' ' ' HIS . . . . . 0.45 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 27.3 t60 -71.69 -36.43 70.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.481 -171.34 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.68 HD12 HG13 ' B' ' 92' ' ' ILE . 0.6 OUTLIER -77.42 -38.22 50.15 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.866 177.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.37 -24.16 66.28 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -172.63 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -83.98 4.11 31.26 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -174.035 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -125.62 -97.36 0.42 Allowed 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 119.964 -0.694 . . . . 0.0 112.107 -178.306 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -166.48 56.33 0.24 Allowed Glycine 0 N--CA 1.453 -0.187 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -177.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 92' ' ' ILE . . . . . 0.68 HG13 HD12 ' B' ' 87' ' ' LEU . 22.2 mm -96.58 147.74 5.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.241 -0.479 . . . . 0.0 110.963 -173.333 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -100.3 104.19 28.21 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 120.968 0.413 . . . . 0.0 110.215 176.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 94' ' ' PRO . . . . . 0.544 ' HD3' ' O ' ' B' ' 92' ' ' ILE . 19.0 Cg_exo -63.78 136.94 55.91 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 123.079 2.519 . . . . 0.0 111.94 177.509 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 95' ' ' ALA . . . . . 0.695 ' HA ' ' HB2' ' B' ' 99' ' ' ALA . . . -80.02 6.39 11.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.288 0.566 . . . . 0.0 110.81 -178.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 -70.03 -22.84 63.06 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.038 174.181 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -151.03 140.11 21.1 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.681 -179.584 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 98' ' ' MET . . . . . . . . . . . . . 54.8 mtt 46.8 60.59 3.27 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 123.76 0.662 . . . . 0.0 111.899 174.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 99' ' ' ALA . . . . . 0.695 ' HB2' ' HA ' ' B' ' 95' ' ' ALA . . . -102.59 80.82 1.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -173.263 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -143.99 137.42 27.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.875 0.369 . . . . 0.0 110.419 173.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -124.49 72.7 1.21 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.454 0.645 . . . . 0.0 110.071 177.393 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 102' ' ' ILE . . . . . 0.683 ' H ' HD12 ' B' ' 102' ' ' ILE . 4.5 mp -62.1 124.5 82.33 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.354 -179.003 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -52.73 122.59 11.23 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.941 2.427 . . . . 0.0 112.003 178.453 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 104' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -64.51 113.13 2.16 Favored 'Trans proline' 0 N--CA 1.462 -0.376 0 C-N-CA 122.422 2.082 . . . . 0.0 112.246 -178.442 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -85.83 120.59 72.86 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 115.789 -0.642 . . . . 0.0 109.978 178.279 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.36 -39.08 80.3 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 123.24 2.627 . . . . 0.0 111.854 -179.455 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 26.8 p-10 -164.06 144.02 8.07 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 175.461 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 6.8 m0 . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.165 -0.921 . . . . 0.0 110.256 -175.672 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.619 0 N-CA-C 111.989 -0.445 . . . . 0.0 111.989 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -142.94 153.1 42.72 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 122.793 -0.239 . . . . 0.0 110.694 -177.569 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 24.7 mmt 60.25 34.24 20.95 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.79 0.681 . . . . 0.0 111.304 177.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.7 p -80.68 -6.46 58.42 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.898 178.237 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 79.22 -112.78 3.52 Favored Glycine 0 N--CA 1.443 -0.864 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.803 -179.18 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.416 ' HE2' ' HB2' ' A' ' 26' ' ' ASP . 91.3 m-85 -91.68 112.58 24.56 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.106 0.479 . . . . 0.0 110.49 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt -81.01 52.66 1.81 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.718 -179.552 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 56.79 50.57 12.25 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.018 -174.346 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.606 HG22 ' H ' ' A' ' 11' ' ' HIS . 7.1 p -103.84 128.53 57.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 175.536 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.61 ' HB3' ' OH ' ' A' ' 53' ' ' TYR . 29.4 m -75.15 5.84 4.96 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.859 0.362 . . . . 0.0 111.746 -174.426 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.606 ' H ' HG22 ' A' ' 9' ' ' VAL . 7.3 t-80 -68.53 -40.61 80.67 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 172.593 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.487 HG22 ' O ' ' A' ' 12' ' ' VAL . 12.6 p 39.39 34.6 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 124.797 1.239 . . . . 0.0 113.858 171.164 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 56.22 24.52 44.71 Favored Glycine 0 CA--C 1.521 0.455 0 C-N-CA 121.277 -0.487 . . . . 0.0 112.891 179.413 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.546 ' CZ2' ' HA ' ' A' ' 16' ' ' PRO . 67.0 t90 -116.33 139.15 50.71 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.819 0.342 . . . . 0.0 110.643 -175.627 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -123.69 134.59 25.4 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 174.491 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.546 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 1.0 OUTLIER -42.79 -39.43 7.39 Favored 'Trans proline' 0 CA--C 1.535 0.557 0 C-N-CA 124.28 3.32 . . . . 0.0 115.675 -170.156 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -103.47 -43.56 5.37 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 122.143 -0.348 . . . . 0.0 111.934 -173.618 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -85.86 -7.88 58.43 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -175.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.401 ' HA3' ' HA ' ' A' ' 44' ' ' THR . . . 80.62 -154.3 35.98 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.781 -0.723 . . . . 0.0 113.11 175.153 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.41 ' HB2' ' HB3' ' A' ' 43' ' ' LEU . 90.7 m-85 -78.91 131.88 36.55 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 179.588 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -76.09 84.29 2.94 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 174.347 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.732 ' HA ' ' HB3' ' A' ' 25' ' ' LEU . 24.8 m -54.07 -25.78 13.53 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.556 -175.517 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 30.8 p-10 -80.9 -10.09 59.76 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 120.967 0.413 . . . . 0.0 110.962 -179.272 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -127.61 19.09 6.77 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 175.488 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.732 ' HB3' ' HA ' ' A' ' 22' ' ' VAL . 0.2 OUTLIER -94.1 133.94 37.05 Favored 'General case' 0 N--CA 1.435 -1.202 0 CA-C-N 114.809 -1.087 . . . . 0.0 110.285 -168.924 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.488 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 11.9 t70 -58.3 129.62 83.52 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.392 -176.318 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.488 ' HD3' ' HA ' ' A' ' 26' ' ' ASP . 52.3 Cg_exo -55.53 -29.81 71.21 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 124.076 3.184 . . . . 0.0 114.148 -177.183 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -76.37 -43.63 39.89 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 -178.475 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.535 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 95.8 mt -59.89 -43.78 94.61 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 171.251 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -56.0 -43.38 77.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.676 179.344 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.5 t -60.05 -51.1 71.1 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.063 175.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.896 HD21 HG13 ' B' ' 79' ' ' VAL . 1.3 tm? -59.47 -55.4 35.05 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.948 -1.024 . . . . 0.0 111.592 -174.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.55 ' HB3' HD21 ' A' ' 43' ' ' LEU . 14.5 m-85 -59.96 -43.89 94.77 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.044 -178.116 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.6 t -65.05 -33.79 76.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.653 178.468 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.5 mtt180 -65.64 -28.05 68.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.102 0.477 . . . . 0.0 110.998 175.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.88 10.09 30.19 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.32 -177.11 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.08 -13.35 65.03 Favored Glycine 0 C--N 1.331 0.251 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.972 175.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.716 HD13 HD11 ' A' ' 52' ' ' ILE . 6.8 mt -70.92 112.55 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.878 0.37 . . . . 0.0 111.133 -179.599 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.4 t -73.85 165.21 25.52 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.276 176.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -59.63 -40.72 88.54 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.947 0.404 . . . . 0.0 110.921 -179.595 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.62 -30.17 71.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.503 0.668 . . . . 0.0 110.491 177.165 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.648 ' HG3' HG21 ' A' ' 48' ' ' THR . 2.6 tp-100 -76.81 -22.89 52.97 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.948 -179.281 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.55 HD21 ' HB3' ' A' ' 33' ' ' PHE . 87.0 mt -72.67 -18.71 61.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.533 175.408 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.401 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 52.1 p -97.89 2.68 49.46 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.307 0.575 . . . . 0.0 110.104 176.693 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.639 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 28.8 t70 -72.11 138.61 47.87 Favored 'General case' 0 CA--C 1.522 -0.115 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.858 175.656 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.43 -62.72 1.58 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -174.535 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.5 pm0 -70.31 -43.46 70.29 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 121.326 -0.15 . . . . 0.0 111.324 -176.551 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.648 HG21 ' HG3' ' A' ' 42' ' ' GLN . 38.9 m -54.54 -55.68 26.73 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.424 ' HB3' ' O ' ' A' ' 43' ' ' LEU . 92.5 p -66.35 -41.76 89.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.676 0.274 . . . . 0.0 111.219 -175.023 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -56.83 -43.57 81.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.701 -178.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.786 HD12 HD11 ' B' ' 92' ' ' ILE . 85.3 mt -81.06 -24.99 37.43 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.246 -176.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.716 HD11 HD13 ' A' ' 38' ' ' ILE . 45.9 mt -63.23 -45.37 98.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.373 168.334 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.61 ' OH ' ' HB3' ' A' ' 10' ' ' SER . 24.6 t80 -60.64 -45.86 92.48 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.897 0.38 . . . . 0.0 110.248 177.115 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -57.32 -38.41 73.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.369 174.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 1.035 ' HE1' ' HG3' ' B' ' 82' ' ' ARG . 46.5 t80 -59.39 -46.91 87.35 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.363 176.042 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 52' ' ' ILE . 77.4 mt -64.31 -38.97 83.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.368 -177.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -66.47 -37.01 84.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.245 175.384 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.461 ' HB3' ' O ' ' A' ' 55' ' ' PHE . 20.7 t70 -58.41 -33.4 69.62 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.345 178.635 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 20.5 mm100 -78.89 -19.97 50.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.375 -179.277 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 117.4 8.02 11.69 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.578 -0.82 . . . . 0.0 111.973 -176.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.67 -170.2 13.31 Favored Glycine 0 N--CA 1.44 -1.04 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.45 177.089 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.3 mp -71.74 -33.76 68.96 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.638 0.256 . . . . 0.0 111.57 -173.595 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -70.17 -28.94 65.73 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.898 0.38 . . . . 0.0 110.639 -177.299 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.468 ' O ' ' HG2' ' A' ' 68' ' ' GLU . . . -68.68 -51.06 45.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.789 179.699 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 45.9 t -59.52 -36.96 67.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.455 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 65.9 mtt180 -58.6 -31.2 67.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.226 176.512 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -87.11 -29.3 21.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.469 -177.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.88 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 7.5 mm-40 -63.74 -20.92 66.12 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.656 0.265 . . . . 0.0 110.72 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 9.5 mmt -55.13 -19.9 8.77 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.653 178.225 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -136.0 22.13 3.28 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 121.309 0.576 . . . . 0.0 110.222 175.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.88 ' HB3' ' HA ' ' A' ' 68' ' ' GLU . 49.1 ttt180 -115.56 -77.94 0.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.74 -177.368 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.538 ' HG2' ' HG2' ' A' ' 71' ' ' ARG . 11.8 pt20 . . . . . 0 C--O 1.244 0.801 0 CA-C-O 118.033 -0.984 . . . . 0.0 109.662 -176.492 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.586 0 N-CA-C 112.065 -0.414 . . . . 0.0 112.065 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 74' ' ' HIS . . . . . 0.609 ' HB2' ' HB2' ' B' ' 81' ' ' GLN . 34.2 m170 -101.51 -97.25 0.27 Allowed 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 174.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 75' ' ' MET . . . . . 0.411 ' HB2' ' HE1' ' B' ' 84' ' ' MET . 75.0 mtm -101.55 -11.85 18.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.495 0.664 . . . . 0.0 109.435 170.65 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 76' ' ' LEU . . . . . 0.417 HD23 ' CE ' ' B' ' 84' ' ' MET . 3.9 mm? -126.48 150.82 71.65 Favored Pre-proline 0 C--N 1.327 -0.413 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.124 175.807 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -93.36 9.88 2.26 Favored 'Trans proline' 0 N--CA 1.455 -0.77 0 C-N-CA 123.357 2.704 . . . . 0.0 112.222 178.044 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 78' ' ' ASP . . . . . 0.559 ' O ' ' HG2' ' B' ' 81' ' ' GLN . 5.2 m-20 -123.06 -174.04 2.85 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.568 -178.072 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.896 HG13 HD21 ' A' ' 32' ' ' LEU . 2.3 p -61.74 -16.67 15.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.116 0.484 . . . . 0.0 111.067 177.586 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -54.56 -30.15 53.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.125 0.488 . . . . 0.0 111.153 176.113 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 81' ' ' GLN . . . . . 0.646 ' HA ' ' HE2' ' B' ' 84' ' ' MET . 11.1 pt20 -70.84 -36.22 72.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.634 -178.786 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 82' ' ' ARG . . . . . 1.035 ' HG3' ' HE1' ' A' ' 55' ' ' PHE . 23.4 tpt180 -75.73 -20.74 58.12 Favored 'General case' 0 N--CA 1.44 -0.927 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.547 -176.108 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 0.53 HD13 ' CG ' ' A' ' 55' ' ' PHE . 14.5 tp -81.89 -41.84 20.38 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.557 -179.639 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 84' ' ' MET . . . . . 0.646 ' HE2' ' HA ' ' B' ' 81' ' ' GLN . 60.7 mtm -61.22 -40.33 93.6 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.972 0.415 . . . . 0.0 110.669 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 85' ' ' GLN . . . . . 0.54 ' O ' ' HG2' ' B' ' 89' ' ' GLU . 15.2 mm100 -65.8 -42.91 90.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.58 178.331 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 86' ' ' HIS . . . . . 0.438 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 78.4 t60 -66.48 -33.18 75.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.336 -175.347 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.709 HD22 HG12 ' B' ' 92' ' ' ILE . 87.5 mt -77.65 -39.43 45.12 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.052 0.453 . . . . 0.0 110.696 179.478 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.27 -14.22 36.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.712 179.153 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.54 ' HG2' ' O ' ' B' ' 85' ' ' GLN . 21.7 mm-40 -73.25 -18.72 61.2 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -126.07 -24.19 3.78 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 -173.166 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 108.25 48.19 0.89 Allowed Glycine 0 CA--C 1.518 0.227 0 C-N-CA 120.164 -1.017 . . . . 0.0 113.475 176.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 92' ' ' ILE . . . . . 0.786 HD11 HD12 ' A' ' 51' ' ' LEU . 1.7 mp -64.2 145.79 13.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 122.44 0.296 . . . . 0.0 110.807 173.105 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -66.03 127.62 93.29 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.363 177.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 94' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -62.34 129.71 27.77 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.691 2.26 . . . . 0.0 111.665 175.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 95' ' ' ALA . . . . . 0.603 ' HB2' HE21 ' A' ' 42' ' ' GLN . . . -109.6 3.27 20.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.289 -0.414 . . . . 0.0 112.035 -175.021 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 96' ' ' ARG . . . . . 0.452 ' HA ' ' HD2' ' B' ' 96' ' ' ARG . 17.4 tpt180 -70.44 -30.73 67.65 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.037 0.446 . . . . 0.0 109.939 174.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -92.78 -174.26 3.57 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 175.151 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 98' ' ' MET . . . . . . . . . . . . . 56.7 ttp -66.81 -71.0 0.21 Allowed 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 121.087 -0.245 . . . . 0.0 110.892 -177.501 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . 60.96 -80.9 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.146 0.904 . . . . 0.0 111.746 -178.26 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 60.56 -178.11 0.1 Allowed 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.556 0.693 . . . . 0.0 111.581 -176.172 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 40.9 m80 -135.7 113.35 10.89 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 175.654 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 50.6 mm -69.23 112.6 12.3 Favored Pre-proline 0 C--N 1.322 -0.611 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 177.559 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 103' ' ' PRO . . . . . 0.505 ' HA ' ' HD3' ' B' ' 104' ' ' PRO . 45.6 Cg_endo -68.67 139.46 44.26 Favored 'Trans proline' 0 N--CA 1.462 -0.381 0 C-N-CA 122.521 2.148 . . . . 0.0 112.217 -175.553 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 104' ' ' PRO . . . . . 0.505 ' HD3' ' HA ' ' B' ' 103' ' ' PRO . 22.2 Cg_exo -64.71 115.22 3.1 Favored 'Trans proline' 0 N--CA 1.462 -0.381 0 C-N-CA 122.463 2.109 . . . . 0.0 111.369 177.448 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.82 126.6 92.82 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.087 179.686 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 106' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -49.59 113.78 1.09 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 123.164 2.576 . . . . 0.0 112.489 -177.317 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -73.63 147.52 43.69 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.268 -177.298 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 9.7 m-90 . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.236 -0.888 . . . . 0.0 109.592 175.403 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.538 HG22 ' O ' ' A' ' 12' ' ' VAL . 14.1 p . . . . . 0 CA--C 1.556 1.187 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 53.28 29.06 36.6 Favored Glycine 0 CA--C 1.522 0.474 0 O-C-N 121.727 -0.608 . . . . 0.0 112.804 -177.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.577 ' CH2' ' HA ' ' A' ' 16' ' ' PRO . 59.5 t90 -120.76 143.57 48.74 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 122.888 0.475 . . . . 0.0 110.18 -175.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -111.13 129.03 24.43 Favored Pre-proline 0 C--N 1.318 -0.785 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 174.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.577 ' HA ' ' CH2' ' A' ' 14' ' ' TRP . 4.2 Cg_endo -46.78 -32.45 12.28 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 124.287 3.325 . . . . 0.0 114.231 -174.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -105.56 -53.49 2.64 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -178.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -92.57 14.24 17.48 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.67 0.618 . . . . 0.0 112.67 -169.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.523 ' HA2' ' OG ' ' A' ' 49' ' ' SER . . . 82.2 -166.62 46.37 Favored Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.598 -0.811 . . . . 0.0 113.906 169.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.567 ' HA ' ' HA ' ' A' ' 14' ' ' TRP . 87.8 m-85 -70.55 130.14 41.07 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.142 -0.529 . . . . 0.0 110.703 -178.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -74.69 91.76 2.4 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 175.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.697 ' HA ' ' HB3' ' A' ' 25' ' ' LEU . 31.5 m -60.63 -11.74 4.2 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -173.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -83.93 -32.72 24.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.166 0.508 . . . . 0.0 109.78 175.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -109.94 28.51 8.52 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.003 177.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.697 ' HB3' ' HA ' ' A' ' 22' ' ' VAL . 0.7 OUTLIER -98.15 123.71 42.34 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-N 115.133 -0.939 . . . . 0.0 109.576 -172.29 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.55 ' OD2' ' HB2' ' A' ' 28' ' ' ASP . 28.6 t70 -58.67 129.47 84.78 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.114 -176.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' A' ' 26' ' ' ASP . 51.9 Cg_exo -56.05 -34.58 92.94 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 123.954 3.103 . . . . 0.0 113.682 -178.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.55 ' HB2' ' OD2' ' A' ' 26' ' ' ASP . 6.4 m-20 -67.89 -44.76 76.25 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 120.993 0.425 . . . . 0.0 109.889 178.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.601 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 96.9 mt -59.31 -46.78 87.64 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.647 172.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.0 ttt180 -56.31 -39.9 73.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.815 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.419 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 8.1 t -57.84 -53.55 57.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.728 176.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.826 HD13 HG13 ' B' ' 79' ' ' VAL . 45.0 tp -58.32 -50.91 71.95 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.058 -0.974 . . . . 0.0 111.572 -177.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.601 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 17.2 m-30 -62.58 -42.09 99.34 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.386 -173.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.7 t -64.95 -33.49 76.17 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.725 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 31' ' ' SER . 98.8 mtt180 -67.91 -45.82 73.32 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.371 0.605 . . . . 0.0 110.103 175.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.91 -23.81 67.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.617 -1.174 . . . . 0.0 111.628 -176.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 115.0 -17.48 17.32 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.896 -0.669 . . . . 0.0 111.553 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.532 ' CD1' HD13 ' B' ' 83' ' ' LEU . 6.1 mt -65.06 111.6 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 CA-C-N 115.098 -0.551 . . . . 0.0 110.384 178.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.9 t -91.46 179.94 5.54 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.368 178.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.526 ' HG3' HG11 ' A' ' 22' ' ' VAL . 45.0 tt0 -54.16 -46.05 72.21 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 122.897 0.479 . . . . 0.0 111.058 -177.392 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.92 -53.77 54.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.179 176.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.622 ' HB3' HG21 ' A' ' 48' ' ' THR . 50.1 mt-30 -57.59 -41.05 80.39 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.991 -0.284 . . . . 0.0 111.08 -179.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.5 mt -60.73 -26.24 67.04 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.476 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.9 p -102.61 13.36 34.68 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.141 0.496 . . . . 0.0 110.818 -177.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -93.9 152.31 18.96 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.783 176.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.46 -69.2 0.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -174.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -65.85 -37.05 85.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.758 -172.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.65 ' HA ' HG13 ' B' ' 92' ' ' ILE . 35.7 m -58.77 -60.1 4.38 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.696 179.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.523 ' OG ' ' HA2' ' A' ' 19' ' ' GLY . 96.8 p -66.91 -36.26 81.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 0.0 111.478 -174.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.4 tttp -56.57 -43.94 80.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.094 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.579 HD12 HD11 ' B' ' 92' ' ' ILE . 42.2 mt -80.36 -22.85 40.97 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.551 -179.058 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.624 ' O ' ' HB3' ' A' ' 55' ' ' PHE . 59.9 mt -65.13 -42.81 95.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.639 0.257 . . . . 0.0 110.827 170.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -64.03 -46.61 83.69 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.264 -0.575 . . . . 0.0 110.171 176.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -56.5 -38.96 72.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.184 0.516 . . . . 0.0 110.107 175.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.632 ' CZ ' ' HG ' ' B' ' 83' ' ' LEU . 32.6 t80 -54.72 -56.69 16.53 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.349 -0.842 . . . . 0.0 110.713 173.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.729 HG21 HD23 ' A' ' 62' ' ' LEU . 68.7 mt -59.12 -37.87 70.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.231 -177.363 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -75.0 -23.96 58.34 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.707 -177.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -64.93 -39.25 93.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.474 HE21 ' HB2' ' A' ' 59' ' ' GLN . 1.5 mp0 -85.57 1.99 46.77 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 120.66 -0.416 . . . . 0.0 111.576 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.32 -26.26 7.45 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.185 -1.007 . . . . 0.0 113.802 175.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 148.72 -165.6 29.2 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 119.679 -1.248 . . . . 0.0 113.536 178.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.729 HD23 HG21 ' A' ' 56' ' ' ILE . 96.7 mt -67.24 -50.36 60.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.858 0.361 . . . . 0.0 111.429 -174.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.575 ' O ' ' HG2' ' A' ' 67' ' ' GLN . 6.1 mm-40 -61.07 -32.73 72.37 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.342 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.58 -50.38 67.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.649 -175.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.958 ' HA ' ' HG3' ' A' ' 68' ' ' GLU . 5.3 m -71.2 -26.51 27.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.031 0.444 . . . . 0.0 110.424 -178.001 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.484 ' O ' ' HB2' ' A' ' 69' ' ' MET . 63.3 mtt180 -66.35 -35.65 80.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.909 174.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.575 ' HG2' ' O ' ' A' ' 63' ' ' GLU . 14.4 mm100 -69.3 -34.8 75.23 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.5 177.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.958 ' HG3' ' HA ' ' A' ' 65' ' ' VAL . 3.3 mt-10 -59.63 -29.99 68.4 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.263 0.352 . . . . 0.0 110.278 177.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.484 ' HB2' ' O ' ' A' ' 66' ' ' ARG . 36.8 mtt -56.39 -36.34 68.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.962 0.41 . . . . 0.0 110.784 178.363 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.0 mpt_? . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.275 -178.314 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.826 HG13 HD13 ' A' ' 32' ' ' LEU . 2.4 p . . . . . 0 CA--C 1.541 0.631 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.33 -32.28 73.02 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -176.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' GLN . . . . . 0.523 ' HG3' ' N ' ' B' ' 82' ' ' ARG . 2.4 pt20 -65.89 -35.87 81.83 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.414 0.626 . . . . 0.0 109.391 177.375 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . 0.523 ' N ' ' HG3' ' B' ' 81' ' ' GLN . 4.6 tpp180 -63.25 -23.73 67.55 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 114.73 -1.123 . . . . 0.0 110.485 -176.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 0.632 ' HG ' ' CZ ' ' A' ' 55' ' ' PHE . 1.8 mt -82.03 -37.15 26.94 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.878 -176.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 59.5 mtt -59.64 -35.9 75.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.628 -178.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -71.03 -40.48 71.71 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.775 178.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . 0.485 ' HA ' ' OE2' ' B' ' 89' ' ' GLU . 30.7 t60 -73.96 -29.02 61.77 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -169.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . 0.609 ' HA ' HD13 ' B' ' 92' ' ' ILE . 0.3 OUTLIER -80.66 -38.7 28.58 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.17 -0.612 . . . . 0.0 110.075 174.45 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.53 -32.06 71.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.7 -176.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . 0.485 ' OE2' ' HA ' ' B' ' 86' ' ' HIS . 13.0 pt-20 -74.37 0.15 15.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.884 -177.15 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 -122.21 -64.19 1.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.575 -0.45 . . . . 0.0 112.191 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 148.98 32.19 0.05 OUTLIER Glycine 0 C--N 1.329 0.185 0 C-N-CA 120.422 -0.894 . . . . 0.0 112.929 -179.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . 0.65 HG13 ' HA ' ' A' ' 48' ' ' THR . 1.7 mp -59.37 143.96 13.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.922 0.391 . . . . 0.0 111.626 178.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 . . . . . 0 C--N 1.326 -0.414 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.084 -179.581 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.815 HG22 HD11 ' A' ' 62' ' ' LEU . 44.0 t . . . . . 0 N--CA 1.47 0.527 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.0 13.22 34.52 Favored Glycine 0 N--CA 1.447 -0.609 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 -176.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 69.2 t90 -95.77 125.54 40.41 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 120.958 0.409 . . . . 0.0 110.762 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -108.24 133.76 20.43 Favored Pre-proline 0 C--N 1.319 -0.719 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.354 174.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -55.31 -26.68 53.67 Favored 'Trans proline' 0 CA--C 1.529 0.243 0 C-N-CA 123.699 2.933 . . . . 0.0 113.85 -175.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -104.9 -36.26 7.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.755 0.312 . . . . 0.0 111.766 -179.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -99.39 -7.28 26.39 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -172.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.499 ' HA3' ' HA ' ' A' ' 44' ' ' THR . . . 79.94 -156.5 40.17 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.264 178.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.604 ' HB3' HD21 ' A' ' 25' ' ' LEU . 95.6 m-85 -77.54 124.81 28.4 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 178.509 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -65.52 100.7 0.52 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.269 0.557 . . . . 0.0 109.588 178.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.67 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 20.5 m -70.91 -4.8 4.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.953 -172.508 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -78.95 -40.93 30.54 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.025 0.44 . . . . 0.0 109.948 179.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -115.68 32.5 6.04 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.746 -177.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.67 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 29.4 mt -65.99 129.19 38.94 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.064 174.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.441 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 1.1 m-20 -63.59 134.51 95.9 Favored Pre-proline 0 C--N 1.322 -0.614 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 173.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.479 ' O ' ' HB2' ' A' ' 31' ' ' SER . 82.5 Cg_exo -48.1 -31.94 17.53 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 124.178 3.252 . . . . 0.0 113.574 -174.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -72.2 -51.85 19.24 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.956 178.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 96.5 mt -58.47 -45.3 88.92 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.809 0.338 . . . . 0.0 110.535 176.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -60.84 -44.95 96.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.626 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.479 ' HB2' ' O ' ' A' ' 27' ' ' PRO . 1.4 t -60.15 -46.73 88.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.25 178.22 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.582 HD21 HG23 ' B' ' 79' ' ' VAL . 1.3 tm? -66.51 -56.21 11.95 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.825 -175.024 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -58.31 -42.97 87.89 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.423 -175.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 70.7 m -70.6 -19.21 62.87 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.002 177.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 45.3 ttp180 -90.14 -9.27 48.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.467 0.651 . . . . 0.0 109.4 176.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.571 ' O ' ' HG2' ' B' ' 84' ' ' MET . . . -96.76 6.49 48.58 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.94 177.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.0 -7.82 80.09 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.62 176.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.634 HD13 ' CD1' ' A' ' 52' ' ' ILE . 6.2 mt -75.02 105.96 4.4 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 CA-C-O 120.864 0.364 . . . . 0.0 110.427 179.19 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.6 m -69.03 161.33 29.22 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.187 177.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -52.95 -45.92 67.92 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.95 0.405 . . . . 0.0 110.884 -175.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.06 -46.78 87.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.131 178.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.943 ' HG2' HG21 ' A' ' 48' ' ' THR . 36.6 tt0 -61.35 -33.29 73.39 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.578 0.704 . . . . 0.0 110.224 -179.234 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.487 ' HG ' ' HB2' ' A' ' 20' ' ' PHE . 19.0 tp -68.41 -19.39 64.6 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.711 -179.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.499 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 6.8 p -108.38 12.94 25.94 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.869 179.439 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -86.06 146.05 26.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.053 172.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.4 -69.54 0.16 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -169.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -66.2 -39.98 90.04 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 121.152 -0.219 . . . . 0.0 111.37 -173.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.943 HG21 ' HG2' ' A' ' 42' ' ' GLN . 24.7 m -52.1 -58.61 6.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.653 0.263 . . . . 0.0 111.459 177.224 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.513 ' HA ' HD12 ' A' ' 52' ' ' ILE . 79.8 p -64.61 -38.02 89.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.013 0.435 . . . . 0.0 110.998 -176.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -61.33 -38.12 85.77 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.09 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.957 HD12 HD11 ' B' ' 92' ' ' ILE . 68.4 mt -80.42 -26.96 38.16 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.274 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.634 ' CD1' HD13 ' A' ' 38' ' ' ILE . 81.6 mt -62.54 -45.19 99.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.049 0.452 . . . . 0.0 109.918 168.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.475 ' HE1' HG21 ' A' ' 12' ' ' VAL . 26.1 t80 -61.0 -40.9 95.3 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.85 178.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -60.27 -46.62 89.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.251 173.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 1.048 ' HE1' ' HG3' ' B' ' 82' ' ' ARG . 55.4 t80 -53.48 -49.42 67.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.261 -0.882 . . . . 0.0 111.532 176.602 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.709 HG21 HD23 ' A' ' 62' ' ' LEU . 99.3 mt -59.5 -40.64 82.4 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.884 0 CA-C-N 115.331 -0.849 . . . . 0.0 111.697 -175.21 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -67.08 -38.05 85.05 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 178.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -55.79 -39.85 71.84 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.277 0.56 . . . . 0.0 110.484 177.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.501 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 12.2 mm100 -80.16 -18.24 50.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.333 -176.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.11 4.38 12.44 Favored Glycine 0 CA--C 1.52 0.387 0 C-N-CA 120.719 -0.753 . . . . 0.0 113.357 179.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 111.47 178.28 20.24 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.285 179.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.815 HD11 HG22 ' A' ' 12' ' ' VAL . 80.3 mt -59.13 -41.21 87.69 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.234 0.54 . . . . 0.0 110.863 -176.586 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.467 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 32.3 mp0 -64.02 -29.23 70.4 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.554 -176.255 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.54 -47.11 43.41 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.381 -177.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.771 ' HB ' HG11 ' B' ' 79' ' ' VAL . 1.5 m -66.95 -25.89 35.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-O 121.113 0.482 . . . . 0.0 110.267 -176.33 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -62.27 -36.73 82.99 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.099 173.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' A' ' 63' ' ' GLU . 87.0 mt-30 -74.75 -41.0 60.92 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.915 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.764 ' HG3' ' HA ' ' A' ' 65' ' ' VAL . 1.9 mm-40 -57.07 -28.12 62.31 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.576 -175.262 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 31.7 mtt -54.39 -36.34 63.81 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.228 0.537 . . . . 0.0 110.905 175.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.218 178.27 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.771 HG11 ' HB ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.223 -0.333 0 N-CA-C 112.416 0.525 . . . . 0.0 112.416 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.586 ' O ' ' HG3' ' B' ' 84' ' ' MET . . . -47.92 -62.35 1.51 Allowed 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 -175.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.1 -33.69 68.05 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 121.886 -0.509 . . . . 0.0 110.889 -179.31 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . 1.048 ' HG3' ' HE1' ' A' ' 55' ' ' PHE . 18.7 tpt180 -58.32 -33.39 69.45 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.581 0.705 . . . . 0.0 110.119 177.433 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 0.521 HD13 ' CG ' ' A' ' 55' ' ' PHE . 32.0 tp -82.5 -44.37 16.05 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.049 179.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' MET . . . . . 0.586 ' HG3' ' O ' ' B' ' 80' ' ' ALA . 67.6 mtt -46.88 -53.6 11.79 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 121.257 0.551 . . . . 0.0 111.241 -179.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -71.87 -26.91 62.54 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.829 -175.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . 0.407 ' HA ' ' HG2' ' B' ' 89' ' ' GLU . 74.1 t60 -68.9 -18.12 64.07 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.326 -178.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . 0.885 HD12 HG13 ' B' ' 92' ' ' ILE . 1.7 mm? -84.29 -46.5 11.73 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.218 0.532 . . . . 0.0 109.868 171.38 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.07 -16.83 63.19 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.512 -0.767 . . . . 0.0 112.326 -174.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . 0.626 ' HG3' ' CD2' ' B' ' 90' ' ' HIS . 8.2 pt-20 -78.42 -5.87 53.63 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.666 0.247 . . . . 0.0 111.666 179.175 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 90' ' ' HIS . . . . . 0.626 ' CD2' ' HG3' ' B' ' 89' ' ' GLU . 90.3 m-70 -117.13 -73.48 0.64 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -177.149 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 161.18 66.12 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 -173.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . 0.957 HD11 HD12 ' A' ' 51' ' ' LEU . 19.6 mm -107.89 142.15 21.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.195 -0.503 . . . . 0.0 111.654 -173.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.491 176.465 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.598 HG11 HD21 ' A' ' 62' ' ' LEU . 17.4 t . . . . . 0 CA--C 1.534 0.353 0 CA-C-O 120.964 0.412 . . . . 0.0 111.898 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 64.0 10.78 41.64 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 121.047 -0.597 . . . . 0.0 112.055 -178.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.478 ' CZ2' ' HA ' ' A' ' 16' ' ' PRO . 70.4 t90 -102.89 132.56 49.02 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.876 0.369 . . . . 0.0 111.087 -177.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.707 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . 1.6 t70 -112.48 135.29 21.47 Favored Pre-proline 0 C--N 1.324 -0.536 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 174.334 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.478 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 84.2 Cg_exo -45.27 -57.74 1.96 Allowed 'Trans proline' 0 CA--C 1.533 0.452 0 C-N-CA 123.853 3.035 . . . . 0.0 114.326 -172.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -92.49 -24.01 18.93 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.625 -174.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.707 ' HB3' ' HB3' ' A' ' 15' ' ' ASP . 54.2 t30 -89.93 -31.84 17.09 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.527 -172.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.55 -164.03 18.84 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.989 -0.624 . . . . 0.0 111.891 -179.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.478 ' HB3' HD21 ' A' ' 25' ' ' LEU . 35.5 m-85 -75.68 134.22 40.61 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 177.215 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.418 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 11.8 t0 -78.18 113.92 16.59 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 175.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.629 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 4.5 m -69.43 -9.74 12.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.771 -177.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -82.46 -46.67 13.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.281 174.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -102.65 42.09 1.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.279 178.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.629 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 15.3 mt -76.0 125.13 28.54 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.309 174.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.584 ' HB3' HD22 ' A' ' 29' ' ' LEU . 7.3 t70 -55.68 132.6 72.01 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.875 175.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 26' ' ' ASP . 73.5 Cg_exo -49.47 -34.31 32.85 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 124.074 3.183 . . . . 0.0 113.978 -175.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -86.36 -39.59 16.28 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 -177.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.762 HD11 HD22 ' A' ' 62' ' ' LEU . 7.9 mp -53.72 -49.39 68.22 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 120.919 0.39 . . . . 0.0 110.689 169.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -53.32 -43.78 67.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.125 179.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.8 t -64.23 -49.87 70.24 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.449 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.1 tp -63.86 -51.52 64.23 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.134 -175.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.574 ' HB3' ' HB ' ' A' ' 38' ' ' ILE . 14.3 m-30 -61.05 -30.71 70.49 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.304 -173.478 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.3 t -63.16 -42.22 99.39 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 121.095 0.474 . . . . 0.0 110.031 175.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 47.9 mtt180 -65.8 -39.56 91.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.925 176.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.47 -10.56 59.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.254 -0.884 . . . . 0.0 111.669 -175.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.91 -10.9 66.2 Favored Glycine 0 C--N 1.33 0.241 0 C-N-CA 121.048 -0.596 . . . . 0.0 112.513 176.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.842 HD13 HD13 ' A' ' 52' ' ' ILE . 6.9 mt -66.53 106.76 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 120.864 0.364 . . . . 0.0 110.972 -178.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.9 m -91.49 178.68 5.88 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.95 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.494 ' HG3' HG11 ' A' ' 22' ' ' VAL . 33.8 tt0 -46.41 -53.48 10.95 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 123.432 0.458 . . . . 0.0 111.917 -179.018 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.71 -40.73 93.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.116 -177.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 1.045 ' HG2' HG21 ' A' ' 48' ' ' THR . 33.8 tt0 -72.14 -32.53 67.0 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.916 0.389 . . . . 0.0 110.491 -176.147 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.663 ' HG ' HG22 ' A' ' 38' ' ' ILE . 34.5 mt -71.34 -24.93 62.2 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.544 174.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.1 p -100.39 19.32 16.93 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.739 0.78 . . . . 0.0 110.136 179.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.613 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 29.8 t70 -86.31 155.09 20.79 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.898 173.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.31 -60.27 2.32 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -176.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -78.94 -37.21 40.25 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.427 -173.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 1.045 HG21 ' HG2' ' A' ' 42' ' ' GLN . 35.0 m -55.58 -58.96 5.62 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.715 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 82.1 p -60.82 -42.42 97.65 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.847 0.356 . . . . 0.0 111.589 -174.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.12 -37.93 78.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.682 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.83 HD12 HD11 ' B' ' 92' ' ' ILE . 93.8 mt -88.64 -21.57 23.9 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.798 -178.112 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.842 HD13 HD13 ' A' ' 38' ' ' ILE . 60.7 mt -62.87 -47.28 93.58 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.324 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 167.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -66.89 -35.98 81.24 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.935 177.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.626 ' HB3' ' HA ' ' A' ' 51' ' ' LEU . 30.9 t70 -59.64 -32.97 70.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.488 0.661 . . . . 0.0 109.988 174.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.693 ' CZ ' HG12 ' B' ' 79' ' ' VAL . 26.2 t80 -69.48 -44.95 70.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.723 175.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.668 HG21 HD23 ' A' ' 62' ' ' LEU . 98.8 mt -63.34 -41.62 93.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.144 178.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -63.9 -41.02 97.81 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.889 174.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.494 ' HB3' ' O ' ' A' ' 55' ' ' PHE . 30.1 t70 -51.55 -37.1 47.97 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.852 173.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.634 HE22 ' NE ' ' B' ' 82' ' ' ARG . 71.7 mm-40 -72.39 -27.67 62.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.305 0.574 . . . . 0.0 110.606 176.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.73 -5.25 12.83 Favored Glycine 0 N--CA 1.446 -0.648 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.627 -176.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 131.89 -175.71 19.61 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.312 178.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.762 HD22 HD11 ' A' ' 29' ' ' LEU . 82.7 mt -60.07 -46.14 90.57 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 122.612 0.365 . . . . 0.0 111.727 -175.139 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.17 -31.98 70.63 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.631 -178.268 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.13 -40.53 78.23 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.932 0.396 . . . . 0.0 110.472 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.641 HG13 HG11 ' B' ' 79' ' ' VAL . 81.4 t -62.71 -37.37 78.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.437 0.637 . . . . 0.0 110.341 177.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 43.2 mtt85 -63.37 -28.38 69.95 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.906 177.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -80.0 -37.87 33.28 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.53 176.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -55.32 -39.22 69.7 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 120.816 0.341 . . . . 0.0 111.626 175.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 38.7 mtt -52.68 -24.46 8.6 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.338 174.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.2 mtp180 . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.634 178.328 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.693 HG12 ' CZ ' ' A' ' 55' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.47 0.537 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -53.76 -51.77 62.32 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -171.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' GLN . . . . . 0.405 ' HG3' ' N ' ' B' ' 82' ' ' ARG . 14.6 pt20 -69.85 -27.99 65.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.733 0.778 . . . . 0.0 109.645 -178.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . 0.689 ' HG2' ' HE1' ' A' ' 55' ' ' PHE . 66.8 ttt180 -76.75 -17.19 59.21 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 114.672 -1.149 . . . . 0.0 109.744 -176.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 0.696 HD13 HD11 ' A' ' 38' ' ' ILE . 0.5 OUTLIER -79.78 -43.46 22.44 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.225 -179.682 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 47.9 mtt -59.55 -42.13 91.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.019 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . 0.607 ' O ' ' HG2' ' B' ' 89' ' ' GLU . 15.9 mm100 -62.72 -51.85 65.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.895 177.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . 0.504 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 58.1 t60 -59.27 -32.42 70.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.29 -175.264 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . 0.846 HD22 HG12 ' B' ' 92' ' ' ILE . 88.9 mt -80.5 -47.47 14.22 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.943 0.401 . . . . 0.0 110.756 178.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.24 -31.88 65.99 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.121 -179.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . 0.607 ' HG2' ' O ' ' B' ' 85' ' ' GLN . 19.9 mm-40 -60.3 -26.94 66.91 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 179.012 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -102.42 -33.37 9.57 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.764 -0.374 . . . . 0.0 111.558 -176.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 117.78 25.52 3.06 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.334 -0.936 . . . . 0.0 112.908 178.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . 0.846 HG12 HD22 ' B' ' 87' ' ' LEU . 1.6 mp -49.36 141.13 2.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 121.166 0.508 . . . . 0.0 111.666 176.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 . . . . . 0 N--CA 1.445 -0.676 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.944 178.804 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.651 HG11 HD11 ' A' ' 62' ' ' LEU . 20.9 m . . . . . 0 N--CA 1.479 1.007 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 67.6 25.21 73.97 Favored Glycine 0 C--N 1.333 0.401 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.465 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 76.6 t90 -92.42 134.16 35.2 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.241 0.544 . . . . 0.0 111.116 -177.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -113.89 135.12 22.02 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 174.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_endo -57.1 -25.0 61.37 Favored 'Trans proline' 0 N--CA 1.474 0.378 0 C-N-CA 123.516 2.81 . . . . 0.0 113.99 -175.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -104.46 -49.26 3.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.886 0.374 . . . . 0.0 111.504 -178.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.569 ' O ' ' HA ' ' A' ' 44' ' ' THR . 9.2 m120 -88.77 -5.92 57.75 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -173.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 78.88 -146.01 29.19 Favored Glycine 0 N--CA 1.443 -0.883 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.908 175.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.655 ' HB3' HD21 ' A' ' 25' ' ' LEU . 93.1 m-85 -80.86 125.3 29.94 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 -178.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -67.44 102.48 1.13 Allowed 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 176.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.625 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 16.9 m -63.55 -27.78 43.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -171.324 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -91.31 -5.55 54.47 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.77 -179.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -120.41 21.78 11.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.106 174.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.655 HD21 ' HB3' ' A' ' 20' ' ' PHE . 16.0 mt -70.03 138.8 52.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.594 -178.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.436 ' HB3' ' HG ' ' A' ' 29' ' ' LEU . 5.7 t70 -63.82 139.22 97.59 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.668 172.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -42.2 -49.88 5.73 Favored 'Trans proline' 0 C--O 1.237 0.43 0 C-N-CA 123.156 2.571 . . . . 0.0 113.621 -177.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -68.76 -39.63 80.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.701 -0.227 . . . . 0.0 110.562 -178.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.441 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 85.8 mt -62.49 -45.22 93.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.894 0.378 . . . . 0.0 110.164 177.179 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.1 tpt180 -57.26 -39.65 76.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.238 178.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.9 t -73.51 -48.18 35.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.517 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.533 HD13 HG23 ' B' ' 79' ' ' VAL . 47.0 tp -60.71 -56.98 14.77 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 112.751 0.648 . . . . 0.0 112.751 -173.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.441 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 13.7 m-30 -59.62 -34.47 72.81 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.334 -171.318 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.7 m -64.5 -41.93 96.14 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.92 174.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 33.8 mtp85 -64.8 -39.36 93.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.016 177.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.39 -13.81 62.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.854 -176.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.59 -15.07 58.9 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.63 -0.795 . . . . 0.0 111.602 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.568 HD13 ' CD1' ' A' ' 52' ' ' ILE . 12.4 mt -64.63 106.68 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 CA-C-O 120.989 0.423 . . . . 0.0 110.179 177.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.1 m -78.03 169.86 17.57 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.321 178.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -64.71 -26.44 68.37 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.849 0.357 . . . . 0.0 111.161 -175.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.62 -44.64 89.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.58 0.705 . . . . 0.0 110.023 172.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.583 ' HB3' HG21 ' A' ' 48' ' ' THR . 53.6 mt-30 -68.73 -27.92 66.36 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.762 178.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.439 HD13 HD11 ' A' ' 25' ' ' LEU . 51.5 mt -76.56 -13.98 60.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.918 176.105 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.569 ' HA ' ' O ' ' A' ' 18' ' ' ASN . 7.1 p -108.19 18.55 20.98 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.689 0.757 . . . . 0.0 109.674 173.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.577 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 27.0 t70 -90.58 157.09 17.69 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 114.796 -1.093 . . . . 0.0 110.346 175.145 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.28 -68.99 0.53 Allowed 'General case' 0 C--O 1.237 0.436 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 -177.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.402 ' CD ' HE22 ' B' ' 93' ' ' GLN . 1.7 pm0 -67.15 -38.9 86.3 Favored 'General case' 0 CA--C 1.519 -0.247 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.395 -175.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.665 ' O ' HG13 ' A' ' 52' ' ' ILE . 25.7 m -56.27 -60.27 3.75 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.178 -0.209 . . . . 0.0 111.325 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.2 m -62.56 -39.57 94.07 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -175.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -61.56 -39.57 91.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.088 0.47 . . . . 0.0 110.324 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.611 ' HA ' ' HB3' ' A' ' 54' ' ' ASP . 36.6 mt -83.41 -19.91 35.14 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.844 -177.235 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.665 HG13 ' O ' ' A' ' 48' ' ' THR . 61.4 mt -66.11 -42.5 91.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 166.353 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -65.21 -39.91 93.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.401 0.619 . . . . 0.0 109.525 176.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.611 ' HB3' ' HA ' ' A' ' 51' ' ' LEU . 18.9 t70 -61.85 -35.7 79.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.74 173.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.592 ' CZ ' HG12 ' B' ' 79' ' ' VAL . 33.6 t80 -63.94 -46.19 85.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.003 176.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.595 HG21 HD13 ' A' ' 62' ' ' LEU . 98.5 mt -61.15 -43.95 97.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.353 179.026 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -60.53 -44.4 96.12 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.758 172.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -54.81 -37.17 65.78 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.605 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 67.0 mm-40 -76.77 -17.72 58.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.624 179.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.12 3.62 13.01 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.491 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 122.89 -175.05 16.51 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.3 177.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.651 HD11 HG11 ' A' ' 12' ' ' VAL . 4.0 mm? -64.23 -38.58 91.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.962 0.41 . . . . 0.0 111.662 -175.193 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.551 ' O ' ' HG2' ' A' ' 67' ' ' GLN . 28.5 mm-40 -65.7 -35.01 79.55 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.412 -174.283 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.74 -39.31 93.41 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.319 0.581 . . . . 0.0 110.221 178.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.633 HG13 HG11 ' B' ' 79' ' ' VAL . 76.2 t -65.35 -44.47 94.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.305 -0.862 . . . . 0.0 110.507 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.437 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 91.0 mtt-85 -61.62 -30.9 71.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.838 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.551 ' HG2' ' O ' ' A' ' 63' ' ' GLU . 79.7 mm-40 -79.29 -43.59 23.34 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.168 -177.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.493 ' OE2' HG13 ' B' ' 79' ' ' VAL . 8.7 mt-10 -50.19 -36.41 30.43 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 123.022 0.202 . . . . 0.0 111.344 -179.407 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 32.1 mtt -52.37 -40.65 62.28 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.682 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.258 -176.439 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.633 HG11 HG13 ' A' ' 65' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.467 0.404 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -49.97 -49.95 48.54 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -170.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -72.0 -33.23 67.93 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 121.342 0.592 . . . . 0.0 110.172 -177.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . 0.592 ' HG3' ' HE1' ' A' ' 55' ' ' PHE . 8.5 tpt180 -69.47 -21.08 63.73 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.086 -178.109 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 0.518 ' HG ' ' CE2' ' A' ' 55' ' ' PHE . 1.7 mt -74.35 -43.35 56.98 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.171 179.46 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 55.2 mtt -51.43 -45.07 62.51 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.531 -179.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . 0.407 ' O ' ' HG2' ' B' ' 89' ' ' GLU . 85.3 mm-40 -71.18 -39.54 71.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.31 -178.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . 0.492 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 39.8 t60 -66.58 -32.34 73.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 -174.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . 0.466 HD22 ' O ' ' B' ' 83' ' ' LEU . 0.3 OUTLIER -78.54 -39.29 38.3 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.926 0.394 . . . . 0.0 110.367 174.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.65 -34.26 69.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.632 -178.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' B' ' 85' ' ' GLN . 31.7 mm-40 -61.2 -23.3 65.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.541 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -117.35 8.25 13.05 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -173.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 70.46 30.79 68.69 Favored Glycine 0 CA--C 1.521 0.446 0 C-N-CA 120.646 -0.788 . . . . 0.0 113.663 175.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . 0.539 HD11 HD12 ' A' ' 51' ' ' LEU . 1.5 mp -48.07 149.32 0.54 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 123.404 0.682 . . . . 0.0 112.203 174.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . 0.407 HE21 ' HB2' ' B' ' 93' ' ' GLN . 1.6 mp0 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.858 178.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.719 HG12 HD21 ' A' ' 62' ' ' LEU . 13.9 m . . . . . 0 N--CA 1.479 1.009 0 N-CA-C 114.093 1.146 . . . . 0.0 114.093 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 65.58 23.7 70.62 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.481 -0.866 . . . . 0.0 111.788 -177.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.422 ' CD1' ' HA2' ' A' ' 19' ' ' GLY . 59.4 t90 -79.78 130.8 35.63 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.104 0.478 . . . . 0.0 110.782 -177.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -102.49 133.62 20.41 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.721 174.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -47.15 -32.08 13.13 Favored 'Trans proline' 0 CA--C 1.529 0.257 0 C-N-CA 124.293 3.329 . . . . 0.0 114.277 -177.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -105.18 -48.7 3.64 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -176.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.565 ' O ' ' HA ' ' A' ' 44' ' ' THR . 9.3 m120 -96.69 -1.3 46.87 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -173.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.422 ' HA2' ' CD1' ' A' ' 14' ' ' TRP . . . 72.52 -133.31 19.39 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.856 -0.687 . . . . 0.0 114.107 172.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.52 ' HB2' ' HB3' ' A' ' 43' ' ' LEU . 93.7 m-85 -83.42 144.85 29.33 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.128 0.49 . . . . 0.0 111.559 -172.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.46 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 18.2 t70 -81.68 111.64 18.13 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.147 173.293 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.672 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 29.7 m -88.24 -14.48 9.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -169.373 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -87.8 -19.96 26.78 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.433 -0.507 . . . . 0.0 109.914 176.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -126.22 52.56 1.7 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.371 0.605 . . . . 0.0 110.233 174.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.672 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 9.8 mt -80.23 135.19 36.2 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.866 178.408 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.56 ' HB3' HD12 ' A' ' 29' ' ' LEU . 1.8 t70 -58.9 132.79 86.86 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.713 177.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo -43.21 -52.72 4.68 Favored 'Trans proline' 0 C--O 1.238 0.486 0 C-N-CA 123.25 2.633 . . . . 0.0 113.757 -175.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -69.17 -43.52 74.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.616 -176.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.56 HD12 ' HB3' ' A' ' 26' ' ' ASP . 92.5 mt -61.0 -41.8 97.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.792 0.33 . . . . 0.0 110.574 177.278 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -59.13 -43.97 92.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.43 178.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.509 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 5.2 t -62.37 -49.38 75.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.75 177.534 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.588 HD13 HG23 ' B' ' 79' ' ' VAL . 14.3 tp -58.87 -61.07 2.9 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.164 -0.926 . . . . 0.0 112.305 -176.256 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.456 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 11.6 m-30 -60.3 -33.09 71.87 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.846 -171.272 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.9 t -65.63 -42.23 91.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.754 176.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.509 ' HG3' ' O ' ' A' ' 31' ' ' SER . 84.0 mtt180 -64.15 -33.22 75.29 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.424 0.63 . . . . 0.0 110.04 177.56 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.87 -7.87 56.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.007 -0.997 . . . . 0.0 112.263 -173.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.18 2.46 83.3 Favored Glycine 0 CA--C 1.511 -0.177 0 C-N-CA 120.422 -0.894 . . . . 0.0 112.158 178.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.782 HD11 HD13 ' B' ' 83' ' ' LEU . 19.2 mt -71.17 108.82 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.656 0 CA-C-O 120.893 0.377 . . . . 0.0 110.319 176.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.9 t -62.31 155.35 25.2 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.224 177.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -57.24 -32.89 67.01 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 176.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.33 -18.74 64.57 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 121.406 0.622 . . . . 0.0 111.12 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.747 ' HB3' HG21 ' A' ' 48' ' ' THR . 52.3 mt-30 -88.92 -25.72 21.94 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.225 -177.196 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.52 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . 98.2 mt -77.41 -7.01 55.45 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.407 174.243 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.565 ' HA ' ' O ' ' A' ' 18' ' ' ASN . 25.6 p -110.45 1.95 18.61 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.417 173.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.576 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 28.7 t70 -77.16 153.27 34.34 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.097 176.474 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.7 -60.72 2.14 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 111.569 0.211 . . . . 0.0 111.569 -177.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -79.78 -39.18 31.45 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.339 -0.544 . . . . 0.0 110.832 -172.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.747 HG21 ' HB3' ' A' ' 42' ' ' GLN . 25.9 m -53.67 -51.55 62.82 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 120.775 0.322 . . . . 0.0 110.921 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.3 m -62.01 -40.24 94.98 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.133 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -65.5 -41.98 92.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.829 -178.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.451 HD13 ' HA ' ' A' ' 51' ' ' LEU . 1.2 mm? -69.9 -33.56 72.36 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 121.086 -0.246 . . . . 0.0 111.412 178.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.607 ' CD1' HD13 ' A' ' 38' ' ' ILE . 96.4 mt -63.84 -45.71 96.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.795 0.331 . . . . 0.0 110.743 172.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -62.43 -45.3 93.72 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 177.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -59.21 -36.85 76.12 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.387 174.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.685 ' HE1' ' HG2' ' B' ' 82' ' ' ARG . 37.6 t80 -58.82 -49.09 79.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.594 174.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 76.7 mt -64.17 -45.9 95.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.181 178.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -57.94 -41.28 82.46 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.331 175.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -59.4 -33.93 71.82 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.06 -178.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.561 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 55.1 mm-40 -76.3 -18.99 58.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.134 -178.111 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.71 -3.74 14.94 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.94 -0.647 . . . . 0.0 111.582 -175.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 127.8 -165.76 20.72 Favored Glycine 0 N--CA 1.443 -0.845 0 C-N-CA 121.07 -0.586 . . . . 0.0 112.335 176.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.719 HD21 HG12 ' A' ' 12' ' ' VAL . 8.8 mp -70.83 -41.57 71.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.171 0.51 . . . . 0.0 111.046 -172.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.56 ' CD ' ' H ' ' A' ' 63' ' ' GLU . 1.5 mp0 -56.96 -33.66 67.27 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.564 -178.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.0 -46.84 64.28 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.555 -176.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.789 ' HB ' HG11 ' B' ' 79' ' ' VAL . 3.8 m -68.15 -28.67 41.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.764 0.316 . . . . 0.0 110.906 -175.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.471 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 64.7 mtt-85 -70.68 -21.57 62.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.254 0.55 . . . . 0.0 109.8 178.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.467 ' O ' ' HG2' ' A' ' 70' ' ' ARG . 43.9 mt-30 -86.0 -29.31 23.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.333 178.421 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.434 ' HG3' HG13 ' B' ' 79' ' ' VAL . 3.0 mm-40 -59.61 -32.84 70.78 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.056 0.455 . . . . 0.0 110.51 175.226 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 38.1 mtt -54.46 -23.8 17.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.232 -0.894 . . . . 0.0 111.356 176.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.467 ' HG2' ' O ' ' A' ' 67' ' ' GLN . 11.2 ptm180 . . . . . 0 N--CA 1.448 -0.526 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.751 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.789 HG11 ' HB ' ' A' ' 65' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.469 0.482 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -54.53 -45.51 73.4 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 -170.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -67.66 -35.55 79.08 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.617 0.722 . . . . 0.0 109.962 179.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . 0.685 ' HG2' ' HE1' ' A' ' 55' ' ' PHE . 69.4 ttt180 -67.06 -26.01 66.53 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-N 114.805 -1.089 . . . . 0.0 110.174 -179.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 0.782 HD13 HD11 ' A' ' 38' ' ' ILE . 3.3 mt -69.53 -47.35 64.02 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.565 176.117 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 61.9 mtt -52.6 -43.45 65.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.513 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . 0.538 ' O ' ' HG3' ' B' ' 89' ' ' GLU . 13.4 mm-40 -64.15 -35.94 82.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.967 179.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . 0.563 ' HA ' ' OE2' ' B' ' 89' ' ' GLU . 36.4 t60 -77.0 -39.51 50.11 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.805 -172.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . 0.565 HD22 ' O ' ' B' ' 83' ' ' LEU . 0.6 OUTLIER -68.89 -30.44 68.94 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 120.301 -0.56 . . . . 0.0 109.925 177.456 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.16 -22.94 63.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.213 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . 0.563 ' OE2' ' HA ' ' B' ' 86' ' ' HIS . 43.7 mt-10 -70.03 -15.67 63.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.726 -179.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -123.49 -41.1 2.3 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -169.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 120.15 31.82 1.24 Allowed Glycine 0 CA--C 1.516 0.152 0 C-N-CA 119.988 -1.101 . . . . 0.0 113.114 178.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . 0.554 ' HB ' ' HB3' ' B' ' 87' ' ' LEU . 1.7 mp -51.85 143.07 3.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 C-N-CA 123.421 0.688 . . . . 0.0 112.25 178.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 C--O 1.232 0.183 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.74 -179.126 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.854 HG22 HD11 ' A' ' 62' ' ' LEU . 22.0 t . . . . . 0 N--CA 1.474 0.729 0 CA-C-O 121.645 0.736 . . . . 0.0 111.971 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 166.25 35.82 0.02 OUTLIER Glycine 0 N--CA 1.442 -0.906 0 N-CA-C 108.854 -1.698 . . . . 0.0 108.854 -176.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.663 ' CZ2' ' HA ' ' A' ' 16' ' ' PRO . 49.2 t90 -112.35 143.37 43.58 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 114.88 -0.66 . . . . 0.0 111.452 -171.552 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -113.48 131.75 22.83 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.57 175.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.663 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 19.8 Cg_endo -60.4 -22.3 70.85 Favored 'Trans proline' 0 N--CA 1.477 0.512 0 C-N-CA 123.563 2.842 . . . . 0.0 114.689 -172.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -103.68 -41.97 5.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.972 0.415 . . . . 0.0 111.066 -178.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -87.2 -82.58 0.21 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.697 -178.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.529 ' HA3' ' HA ' ' A' ' 44' ' ' THR . . . 164.11 -146.71 11.77 Favored Glycine 0 N--CA 1.443 -0.846 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.271 -178.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.493 ' HB2' ' HG ' ' A' ' 43' ' ' LEU . 72.2 m-85 -78.95 143.56 35.66 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.016 0.436 . . . . 0.0 111.025 -179.087 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -73.42 91.08 1.73 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.096 175.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.725 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 16.0 m -66.03 -19.15 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.282 -174.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -91.9 6.81 44.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.879 0.371 . . . . 0.0 110.818 178.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -134.75 20.76 3.55 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.798 172.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.725 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 14.4 mt -65.97 139.1 58.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.532 0.682 . . . . 0.0 112.08 -177.042 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -78.15 140.91 61.85 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.288 178.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -43.58 -47.07 9.74 Favored 'Trans proline' 0 C--O 1.238 0.517 0 C-N-CA 122.994 2.463 . . . . 0.0 113.355 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -69.84 -47.31 63.19 Favored 'General case' 0 CA--C 1.516 -0.339 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.773 -177.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.8 mp -50.26 -49.71 52.33 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.719 0.295 . . . . 0.0 110.966 172.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.459 ' HD3' ' O ' ' A' ' 30' ' ' ARG . 1.7 tmt_? -58.05 -41.42 83.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.327 -179.345 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.8 t -68.74 -49.02 62.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.189 0.518 . . . . 0.0 110.264 179.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.932 HD21 HG13 ' B' ' 79' ' ' VAL . 1.9 tm? -59.87 -56.86 16.5 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.531 -174.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.53 ' HA ' HD12 ' A' ' 38' ' ' ILE . 17.0 m-85 -60.65 -40.01 90.42 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.627 -177.329 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 36.8 t -63.94 -39.54 94.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.749 177.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -63.46 -39.46 94.53 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-O 121.144 0.497 . . . . 0.0 110.767 176.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.77 -18.36 62.12 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.413 -177.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 107.39 -4.92 35.27 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.385 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.615 HD13 HD13 ' A' ' 52' ' ' ILE . 7.0 mt -72.18 115.24 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 122.325 0.25 . . . . 0.0 110.61 178.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.4 t -91.32 178.76 5.88 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 176.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.422 ' HG3' HG11 ' A' ' 22' ' ' VAL . 36.2 tt0 -57.52 -47.65 81.39 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -172.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.66 -42.9 77.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.746 0.308 . . . . 0.0 110.857 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.713 ' HG2' HG21 ' A' ' 48' ' ' THR . 33.9 tt0 -57.2 -40.76 78.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.449 0.642 . . . . 0.0 109.788 175.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.493 ' HG ' ' HB2' ' A' ' 20' ' ' PHE . 34.9 tp -74.51 -2.35 25.33 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.221 -178.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.529 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 12.3 p -125.03 23.99 7.64 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.696 0.76 . . . . 0.0 109.949 174.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.653 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 27.2 t70 -86.13 142.36 28.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.357 172.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.84 -58.44 7.59 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -174.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -76.26 -41.0 50.4 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.623 -176.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.713 HG21 ' HG2' ' A' ' 42' ' ' GLN . 37.1 m -52.98 -55.8 20.78 Favored 'General case' 0 N--CA 1.457 -0.089 0 CA-C-O 120.54 0.21 . . . . 0.0 111.49 178.233 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.1 m -64.17 -42.39 96.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.798 0.332 . . . . 0.0 111.452 -176.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -60.95 -35.7 77.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.377 0.608 . . . . 0.0 110.158 -178.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.743 HD12 HD11 ' B' ' 92' ' ' ILE . 84.9 mt -86.24 -29.46 23.11 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.789 -177.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.615 HD13 HD13 ' A' ' 38' ' ' ILE . 45.5 mt -62.31 -47.83 91.23 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 C-N-CA 120.534 -0.467 . . . . 0.0 110.453 169.344 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.485 ' HE1' HG23 ' A' ' 12' ' ' VAL . 61.0 t80 -61.05 -43.73 98.44 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 177.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -55.89 -43.59 77.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.139 175.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.685 ' HE1' ' HG3' ' B' ' 82' ' ' ARG . 40.3 t80 -56.72 -55.08 38.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.282 175.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 52' ' ' ILE . 62.7 mt -59.18 -44.35 91.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.829 -176.164 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -64.55 -40.16 95.07 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.876 177.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -61.87 -38.68 89.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.15 178.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.551 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 34.1 mm-40 -66.8 -16.64 64.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.505 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.39 0.18 16.18 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.679 -0.772 . . . . 0.0 111.685 -177.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 123.48 -171.88 16.08 Favored Glycine 0 N--CA 1.441 -0.987 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.657 177.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.854 HD11 HG22 ' A' ' 12' ' ' VAL . 8.1 mp -71.16 -46.43 61.47 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.086 0.469 . . . . 0.0 110.271 -174.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -58.55 -32.12 68.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.376 -177.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.83 -53.82 44.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.945 -174.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.686 ' O ' ' HG3' ' A' ' 69' ' ' MET . 0.8 OUTLIER -69.33 -32.86 55.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 C-N-CA 120.522 -0.471 . . . . 0.0 109.918 -175.379 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 73.2 mtp180 -62.61 -28.68 70.06 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.38 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -82.22 -32.61 29.71 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.254 178.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.404 ' HG3' ' HA ' ' A' ' 65' ' ' VAL . 7.3 mt-10 -66.66 -28.85 68.79 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-O 120.871 0.367 . . . . 0.0 110.189 176.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.686 ' HG3' ' O ' ' A' ' 65' ' ' VAL . 66.9 mtp -61.8 -29.52 70.21 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.704 0.764 . . . . 0.0 109.587 175.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.2 mtp85 . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 114.9 -1.045 . . . . 0.0 108.895 -179.615 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.932 HG13 HD21 ' A' ' 32' ' ' LEU . 2.5 p . . . . . 0 CA--C 1.536 0.405 0 CA-C-O 121.499 0.666 . . . . 0.0 110.077 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.485 ' O ' ' HG3' ' B' ' 84' ' ' MET . . . -45.04 -56.37 4.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.944 170.012 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' GLN . . . . . 0.405 ' HA ' ' SD ' ' B' ' 84' ' ' MET . 0.0 OUTLIER -68.72 -28.9 67.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.057 0.456 . . . . 0.0 110.455 -178.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . 0.685 ' HG3' ' HE1' ' A' ' 55' ' ' PHE . 7.9 tpt180 -66.71 -33.9 76.66 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.721 178.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 0.614 HD13 ' CD2' ' A' ' 55' ' ' PHE . 22.1 tp -77.87 -38.39 46.08 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.499 177.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' MET . . . . . 0.485 ' HG3' ' O ' ' B' ' 80' ' ' ALA . 65.9 mtt -49.36 -48.76 46.47 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.296 0.57 . . . . 0.0 110.828 178.282 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . 0.58 ' O ' ' HG3' ' B' ' 89' ' ' GLU . 43.9 mt-30 -63.74 -39.85 95.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.941 -177.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . 0.597 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 58.8 t60 -66.09 -29.25 69.54 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.739 -173.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . 0.443 ' O ' HD13 ' B' ' 92' ' ' ILE . 0.6 OUTLIER -80.15 -35.08 37.09 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.38 174.653 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.67 -22.63 66.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.819 -176.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . 0.58 ' HG3' ' O ' ' B' ' 85' ' ' GLN . 39.2 mt-10 -63.01 -32.02 73.28 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.604 179.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 76.2 m-70 -101.83 -74.17 0.63 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -168.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 164.24 30.27 0.02 OUTLIER Glycine 0 N--CA 1.454 -0.16 0 C-N-CA 120.345 -0.931 . . . . 0.0 112.466 179.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . 0.743 HD11 HD12 ' A' ' 51' ' ' LEU . 1.7 mp -53.5 143.5 5.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 C-N-CA 123.371 0.668 . . . . 0.0 112.259 -177.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . 0.519 ' O ' ' HG3' ' A' ' 42' ' ' GLN . 1.1 mp0 . . . . . 0 C--N 1.331 -0.232 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 176.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.616 HG21 HD11 ' A' ' 29' ' ' LEU . 6.6 p . . . . . 0 N--CA 1.477 0.879 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 159.75 38.77 0.02 OUTLIER Glycine 0 N--CA 1.443 -0.864 0 N-CA-C 110.487 -1.045 . . . . 0.0 110.487 -178.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.595 ' CZ2' ' HA ' ' A' ' 16' ' ' PRO . 49.2 t90 -121.43 133.31 55.07 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.205 -0.497 . . . . 0.0 110.976 -174.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.512 ' HB3' ' HB2' ' A' ' 18' ' ' ASN . 10.8 t70 -108.85 138.73 20.4 Favored Pre-proline 0 C--N 1.323 -0.57 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 173.408 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.595 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 1.2 Cg_endo -43.25 -51.5 5.71 Favored 'Trans proline' 0 CA--C 1.532 0.419 0 C-N-CA 124.214 3.276 . . . . 0.0 113.742 -173.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.403 ' HB2' HE21 ' A' ' 17' ' ' GLN . 1.0 OUTLIER -104.24 -31.09 9.76 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -177.627 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.512 ' HB2' ' HB3' ' A' ' 15' ' ' ASP . 44.2 m-80 -80.64 -16.31 54.37 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.824 0.345 . . . . 0.0 111.305 -175.34 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 83.26 -162.75 40.54 Favored Glycine 0 N--CA 1.442 -0.959 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.545 177.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.434 ' HB3' HD21 ' A' ' 25' ' ' LEU . 63.0 m-85 -74.08 141.06 45.7 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.122 0.487 . . . . 0.0 110.061 178.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.04 96.25 4.37 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 174.379 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.633 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 9.6 p -61.71 -17.76 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.261 0.553 . . . . 0.0 110.797 -179.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -84.05 -11.95 55.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.984 176.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -132.41 27.22 4.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.869 0.366 . . . . 0.0 110.875 -177.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.633 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 19.5 mt -71.36 135.98 47.57 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.155 0.502 . . . . 0.0 112.032 -176.249 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.407 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 6.1 t70 -59.42 130.71 87.67 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 114.922 -1.036 . . . . 0.0 109.691 172.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 26' ' ' ASP . 68.1 Cg_exo -51.62 -33.49 48.91 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 123.939 3.092 . . . . 0.0 113.817 -176.172 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.417 ' O ' ' HE1' ' A' ' 69' ' ' MET . 15.7 m-20 -79.9 -45.04 19.33 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.616 HD11 HG21 ' A' ' 12' ' ' VAL . 90.4 mt -60.76 -41.07 94.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.751 0.31 . . . . 0.0 110.863 176.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -60.6 -32.51 71.63 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.232 0.539 . . . . 0.0 109.957 179.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.4 t -74.97 -44.81 46.19 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.834 176.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.674 HD21 HG23 ' B' ' 79' ' ' VAL . 1.5 tm? -68.85 -54.98 12.6 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.936 -1.029 . . . . 0.0 112.14 -173.319 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.453 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 22.0 m-30 -53.72 -37.72 63.6 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.942 -178.06 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 46.1 t -61.92 -42.21 98.83 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.533 178.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 73.1 mtp85 -63.83 -35.72 81.55 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.178 0.513 . . . . 0.0 110.187 175.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.425 ' O ' ' HG2' ' B' ' 84' ' ' MET . . . -74.54 -5.07 40.7 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.14 -0.936 . . . . 0.0 112.056 -174.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.99 -3.57 82.75 Favored Glycine 0 CA--C 1.509 -0.304 0 C-N-CA 120.702 -0.761 . . . . 0.0 111.535 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.756 HD13 HD13 ' A' ' 52' ' ' ILE . 33.2 mt -72.55 108.3 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.808 0 CA-C-N 115.357 -0.421 . . . . 0.0 110.178 176.271 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.0 t -94.42 -178.71 4.67 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.695 177.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -58.17 -39.17 78.19 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.821 0.343 . . . . 0.0 111.577 -175.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.3 -43.38 96.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.775 0.322 . . . . 0.0 111.451 177.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.59 ' HB3' HG21 ' A' ' 48' ' ' THR . 23.0 mt-30 -66.66 -34.58 78.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.642 -0.253 . . . . 0.0 111.184 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.632 HD13 HD11 ' A' ' 25' ' ' LEU . 53.0 mt -76.72 -8.0 56.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.81 0.338 . . . . 0.0 111.127 179.496 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.1 p -116.99 15.51 15.12 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.528 0.68 . . . . 0.0 109.679 175.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.599 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 31.5 t70 -90.77 156.92 17.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.395 178.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.14 -68.07 0.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.506 0.193 . . . . 0.0 111.504 -178.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -75.34 -35.81 61.13 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.973 -172.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.599 ' HB ' ' HB3' ' A' ' 45' ' ' ASP . 28.8 m -56.44 -60.04 4.1 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.277 178.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 14.5 m -58.02 -41.29 82.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.779 0.323 . . . . 0.0 111.109 -176.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.471 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 64.0 tttp -60.72 -40.82 93.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.659 -178.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.669 HD12 HD11 ' B' ' 92' ' ' ILE . 62.5 mt -84.39 -20.0 32.64 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.796 -177.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.756 HD13 HD13 ' A' ' 38' ' ' ILE . 59.7 mt -65.58 -47.1 87.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 CA-C-O 121.042 0.449 . . . . 0.0 109.82 167.03 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -63.71 -39.73 95.03 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 176.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.471 ' HB3' ' HA ' ' A' ' 51' ' ' LEU . 23.9 t70 -54.85 -40.79 70.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.161 173.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.668 ' CZ ' HG12 ' B' ' 79' ' ' VAL . 41.5 t80 -61.35 -50.53 72.56 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.3 -0.863 . . . . 0.0 111.161 176.28 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 52' ' ' ILE . 51.3 mt -64.66 -41.57 92.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.713 -176.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -63.15 -38.72 92.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.794 176.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.429 ' HB3' ' O ' ' A' ' 55' ' ' PHE . 4.3 t70 -58.03 -41.2 82.72 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.417 177.575 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.609 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 64.8 mm-40 -69.5 -15.03 63.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.296 -176.044 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.48 -6.67 12.66 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.899 -0.667 . . . . 0.0 111.935 -177.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 128.74 -161.44 22.37 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.643 177.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.457 ' CD2' ' HB ' ' A' ' 12' ' ' VAL . 27.9 mt -74.32 -42.29 59.7 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.925 0.393 . . . . 0.0 110.934 -171.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.475 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 45.0 mt-10 -66.27 -25.08 66.7 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.898 -177.638 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.455 ' O ' ' HG2' ' A' ' 68' ' ' GLU . . . -65.63 -44.42 86.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.562 -177.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.505 HG13 HG11 ' B' ' 79' ' ' VAL . 97.3 t -64.9 -35.58 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.105 0.479 . . . . 0.0 110.656 -178.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -63.06 -29.79 71.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.754 176.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.475 ' HG3' ' O ' ' A' ' 63' ' ' GLU . 21.9 mt-30 -74.68 -41.51 60.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.477 179.194 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.481 ' HB2' HG22 ' B' ' 79' ' ' VAL . 4.3 mm-40 -59.64 -30.65 68.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.19 -177.407 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.417 ' HE1' ' O ' ' A' ' 28' ' ' ASP . 30.5 mtt -61.21 -27.1 68.18 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.393 178.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 . . . . . 0 C--N 1.323 -0.545 0 CA-C-O 121.378 0.609 . . . . 0.0 109.927 176.132 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.674 HG23 HD21 ' A' ' 32' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.304 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.1 -64.96 0.65 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.616 0.722 . . . . 0.0 111.926 -178.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' GLN . . . . . 0.542 ' H ' ' NE2' ' B' ' 81' ' ' GLN . 2.0 mp0 -72.21 -25.31 61.61 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.457 -176.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . 0.663 ' HG2' ' HE1' ' A' ' 55' ' ' PHE . 39.7 ttm180 -66.0 -32.74 74.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.411 0.624 . . . . 0.0 109.968 176.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 0.579 HD13 ' CD1' ' A' ' 38' ' ' ILE . 1.3 mt -71.47 -42.01 68.66 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.918 177.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' MET . . . . . 0.425 ' HG2' ' O ' ' A' ' 36' ' ' ALA . 58.2 mtt -49.54 -52.74 27.74 Favored 'General case' 0 CA--C 1.519 -0.222 0 O-C-N 123.677 0.61 . . . . 0.0 110.049 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -58.83 -42.23 88.76 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.34 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . 0.728 ' HA ' ' OE2' ' B' ' 89' ' ' GLU . 33.2 t60 -70.27 -23.25 62.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.76 -171.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . 0.474 ' HB3' ' HB ' ' B' ' 92' ' ' ILE . 0.2 OUTLIER -86.07 -42.65 13.75 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.068 173.719 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.83 -30.66 70.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.815 -177.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . 0.728 ' OE2' ' HA ' ' B' ' 86' ' ' HIS . 13.6 pt-20 -68.91 -18.1 64.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.64 0.257 . . . . 0.0 111.686 -178.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 67.5 m-70 -103.82 -41.41 5.91 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -177.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 127.58 16.84 2.21 Favored Glycine 0 CA--C 1.516 0.156 0 C-N-CA 120.165 -1.017 . . . . 0.0 112.795 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . 0.669 HD11 HD12 ' A' ' 51' ' ' LEU . 1.7 mp -46.96 143.82 0.84 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.424 0 C-N-CA 123.585 0.754 . . . . 0.0 112.579 178.208 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.867 177.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.533 HG22 HD11 ' A' ' 62' ' ' LEU . 2.5 t . . . . . 0 CA--C 1.536 0.423 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 64.61 22.32 67.83 Favored Glycine 0 CA--C 1.517 0.197 0 C-N-CA 120.9 -0.666 . . . . 0.0 112.23 -176.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.457 ' CH2' ' HA ' ' A' ' 16' ' ' PRO . 88.5 t90 -97.95 134.64 40.79 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.891 0.377 . . . . 0.0 110.754 -177.421 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.407 ' CG ' ' HD2' ' A' ' 16' ' ' PRO . 7.0 t70 -117.33 136.48 23.48 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.595 178.143 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.457 ' HA ' ' CH2' ' A' ' 14' ' ' TRP . 76.5 Cg_exo -29.15 -70.71 0.04 OUTLIER 'Trans proline' 0 CA--C 1.534 0.523 1 C-N-CA 125.59 4.193 . . . . 0.0 115.879 -173.053 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -103.42 -23.96 13.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.868 0.366 . . . . 0.0 111.206 -175.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -73.98 -30.77 62.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.788 0.328 . . . . 0.0 110.605 -177.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.67 -153.6 19.24 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.918 -0.658 . . . . 0.0 113.412 173.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -85.44 143.84 28.34 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.573 -0.313 . . . . 0.0 110.342 -179.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -71.71 85.22 0.91 Allowed 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 173.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.687 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 12.7 p -62.3 -24.76 35.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.679 -175.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.507 HD22 ' ND2' ' A' ' 24' ' ' ASN . 8.9 t30 -75.2 -36.18 61.45 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.094 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.507 ' ND2' HD22 ' A' ' 23' ' ' ASN . 40.6 m-80 -116.72 42.95 2.35 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.15 0.5 . . . . 0.0 110.389 179.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.687 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 5.6 mt -66.11 140.69 58.25 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.011 -179.155 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -58.45 131.05 84.94 Favored Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 173.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -47.94 -24.8 5.56 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 123.908 3.072 . . . . 0.0 114.504 -173.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.431 ' OD2' ' HG3' ' A' ' 69' ' ' MET . 10.9 t70 -84.94 -51.2 6.88 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 179.179 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.513 ' HG ' ' CZ ' ' A' ' 33' ' ' PHE . 9.5 mp -54.16 -44.36 71.39 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.961 0.41 . . . . 0.0 111.167 173.511 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.5 tpt180 -58.33 -24.84 60.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.732 178.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.7 t -90.05 -45.18 9.33 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.166 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.534 HD21 HG23 ' B' ' 79' ' ' VAL . 1.7 tm? -69.14 -54.28 15.74 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.416 -172.252 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.513 ' CZ ' ' HG ' ' A' ' 29' ' ' LEU . 21.5 m-30 -55.9 -36.78 68.04 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.639 -174.412 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.6 t -63.72 -32.41 73.89 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.483 177.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.464 HH11 ' HD2' ' A' ' 35' ' ' ARG . 23.7 mtp85 -74.81 -27.3 60.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.152 0.501 . . . . 0.0 110.46 177.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.447 ' HB1' ' HB3' ' B' ' 83' ' ' LEU . . . -83.61 -14.79 51.2 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.433 -175.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 107.73 -9.07 37.41 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.257 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.83 HD13 HD13 ' A' ' 52' ' ' ILE . 7.7 mt -73.31 119.03 19.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.821 0.343 . . . . 0.0 111.552 -177.357 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 39.5 t -95.85 177.18 5.85 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.089 174.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.519 ' HG2' HG21 ' A' ' 22' ' ' VAL . 87.3 mt-10 -50.03 -54.22 21.7 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.148 0.499 . . . . 0.0 111.729 -178.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.71 -27.46 59.08 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.924 -173.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.615 ' HB3' HG21 ' A' ' 48' ' ' THR . 54.8 mt-30 -83.7 -30.4 26.79 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.263 -175.019 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.551 HD13 HD11 ' A' ' 25' ' ' LEU . 97.2 mt -73.42 -18.77 61.11 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.037 175.441 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 42.3 p -104.19 11.81 34.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.905 176.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.651 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 21.4 t70 -91.8 144.26 25.68 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.539 175.583 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.58 -69.41 0.21 Allowed 'General case' 0 C--O 1.239 0.529 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -172.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -71.26 -35.3 71.33 Favored 'General case' 0 CA--C 1.52 -0.179 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.243 -174.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.651 ' HB ' ' HB3' ' A' ' 45' ' ' ASP . 56.0 m -60.64 -50.53 73.15 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.919 -179.303 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.7 t -68.03 -44.74 75.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.294 -175.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -66.93 -31.75 72.55 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.984 -0.287 . . . . 0.0 111.092 -176.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.62 HD12 HD11 ' B' ' 92' ' ' ILE . 67.6 mt -76.14 -28.87 57.57 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.894 -0.322 . . . . 0.0 111.038 177.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.83 HD13 HD13 ' A' ' 38' ' ' ILE . 75.1 mt -69.19 -44.6 80.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 121.248 0.547 . . . . 0.0 110.337 170.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -61.44 -41.42 97.17 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.122 178.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -68.12 -29.24 68.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.923 176.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.909 ' HE1' ' HG3' ' B' ' 82' ' ' ARG . 20.1 t80 -63.76 -47.2 81.96 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.741 177.389 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.474 HD11 ' HZ ' ' A' ' 33' ' ' PHE . 58.5 mt -62.62 -35.9 72.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.437 0.637 . . . . 0.0 109.967 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -68.65 -47.35 66.79 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.978 175.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -52.4 -36.39 54.06 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.784 176.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -75.33 -11.86 60.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.606 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.76 -7.9 11.96 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.657 -0.782 . . . . 0.0 113.23 178.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 131.16 -171.08 21.16 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.441 -0.885 . . . . 0.0 112.399 178.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.533 HD11 HG22 ' A' ' 12' ' ' VAL . 84.8 mt -64.47 -48.4 75.39 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.633 0.217 . . . . 0.0 111.563 -174.523 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.572 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 26.9 mm-40 -60.37 -32.07 70.94 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.337 -177.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.87 -42.37 97.77 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.935 0.397 . . . . 0.0 111.369 -175.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.603 HG13 HG11 ' B' ' 79' ' ' VAL . 81.7 t -70.4 -41.21 78.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.379 0.609 . . . . 0.0 109.718 178.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 51.7 mtp180 -68.36 -22.08 64.68 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.516 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.572 ' HG3' ' O ' ' A' ' 63' ' ' GLU . 96.8 mt-30 -73.56 -44.01 58.43 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.323 174.48 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.444 ' HB2' HG22 ' B' ' 79' ' ' VAL . 23.9 mt-10 -63.87 -21.88 66.66 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.729 0.3 . . . . 0.0 111.59 -178.205 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.431 ' HG3' ' OD2' ' A' ' 28' ' ' ASP . 11.6 mmt -57.21 -27.58 62.11 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.824 171.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.1 mtp180 . . . . . 0 C--N 1.324 -0.514 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.466 -178.865 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.603 HG11 HG13 ' A' ' 65' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.248 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.64 -62.58 1.54 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -177.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -71.85 -25.45 61.97 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.21 0.529 . . . . 0.0 110.709 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . 0.909 ' HG3' ' HE1' ' A' ' 55' ' ' PHE . 23.9 tpt180 -67.19 -26.95 66.88 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-O 121.522 0.677 . . . . 0.0 109.886 178.363 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 0.687 HD13 HD11 ' A' ' 38' ' ' ILE . 0.5 OUTLIER -81.46 -40.67 22.95 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.518 179.818 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 63.5 mtt -52.16 -55.49 20.63 Favored 'General case' 0 N--CA 1.465 0.293 0 O-C-N 123.675 0.61 . . . . 0.0 110.688 -179.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -62.7 -31.49 72.41 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.273 -178.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . 0.473 ' HA ' ' OE1' ' B' ' 89' ' ' GLU . 65.1 t60 -77.05 -17.64 58.64 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 -175.253 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . 0.653 HD22 HG12 ' B' ' 92' ' ' ILE . 61.8 mt -94.52 -36.31 11.9 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.301 0.572 . . . . 0.0 110.227 174.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.53 -23.37 66.22 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.592 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . 0.648 ' HG3' ' CD2' ' B' ' 90' ' ' HIS . 10.1 pt-20 -73.68 -9.12 58.34 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.266 -0.425 . . . . 0.0 112.089 -178.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 90' ' ' HIS . . . . . 0.648 ' CD2' ' HG3' ' B' ' 89' ' ' GLU . 97.9 m-70 -118.44 -76.23 0.57 Allowed 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.809 -178.424 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 163.18 36.55 0.02 OUTLIER Glycine 0 C--O 1.231 -0.072 0 C-N-CA 120.507 -0.854 . . . . 0.0 112.341 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . 0.653 HG12 HD22 ' B' ' 87' ' ' LEU . 1.7 mp -55.23 140.76 12.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 123.368 0.667 . . . . 0.0 112.434 -178.309 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 . . . . . 0 C--N 1.326 -0.428 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.113 179.131 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.448 HG22 HD11 ' A' ' 29' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.473 0.702 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 128.77 31.81 0.63 Allowed Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.319 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.433 ' HB2' ' CE1' ' A' ' 20' ' ' PHE . 76.4 t90 -116.23 132.45 56.66 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.614 0.245 . . . . 0.0 110.437 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.729 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . 1.1 t70 -114.29 140.17 24.74 Favored Pre-proline 0 C--N 1.322 -0.599 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 176.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_exo -33.78 -62.16 0.19 Allowed 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 124.567 3.511 . . . . 0.0 115.028 -174.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -104.38 -30.23 10.23 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 -177.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.729 ' HB3' ' HB3' ' A' ' 15' ' ' ASP . 28.6 t-20 -66.25 -34.8 78.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.775 0.321 . . . . 0.0 110.902 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 91.53 -165.23 29.72 Favored Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 115.987 -0.551 . . . . 0.0 112.45 178.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.573 ' CD2' HD12 ' A' ' 43' ' ' LEU . 97.9 m-85 -73.21 122.53 22.06 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 174.366 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -74.42 119.49 18.69 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 119.997 -0.681 . . . . 0.0 110.079 -178.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.673 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 18.0 m -72.69 -12.67 15.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.951 -172.193 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -78.42 -31.56 48.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.919 0.39 . . . . 0.0 110.145 -178.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -120.11 30.13 7.16 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.314 -177.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.673 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 23.2 mt -65.92 117.61 8.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.358 175.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -54.59 134.68 63.72 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.862 175.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -49.27 -28.39 14.9 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 123.982 3.121 . . . . 0.0 114.24 -177.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -76.27 -44.65 36.25 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 177.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.508 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 89.3 mt -62.52 -47.66 82.95 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.113 176.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -55.79 -40.63 72.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.106 178.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.0 t -63.0 -54.15 42.78 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.34 178.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.402 ' CD1' HG13 ' B' ' 79' ' ' VAL . 57.4 tp -62.49 -49.49 75.15 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.415 -173.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.508 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 16.8 m-30 -64.79 -47.76 76.95 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.324 -170.367 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.6 m -67.66 -23.88 65.37 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.295 0.569 . . . . 0.0 110.708 177.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.7 ttt85 -80.13 -15.58 56.79 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.932 175.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -107.86 18.76 20.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.605 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.3 -17.72 17.31 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 121.091 -0.576 . . . . 0.0 113.328 175.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.584 HD13 ' CD1' ' A' ' 52' ' ' ILE . 40.4 mt -65.09 105.14 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.135 0.493 . . . . 0.0 111.124 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 33.4 t -77.65 169.59 18.04 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.568 174.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -52.87 -44.54 66.92 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 -177.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.19 -24.88 60.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.268 -177.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.622 ' HB3' HG21 ' A' ' 48' ' ' THR . 47.3 mt-30 -82.27 -30.93 30.34 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.095 -176.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.573 HD12 ' CD2' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -66.13 -28.78 69.06 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.426 -0.51 . . . . 0.0 109.741 172.322 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.7 p -97.62 11.74 35.96 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.787 178.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.661 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 23.3 t70 -91.85 137.5 32.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.918 176.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.3 -68.66 0.19 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -171.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.0 pm0 -69.34 -39.93 77.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.191 -176.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.773 ' HA ' HG13 ' B' ' 92' ' ' ILE . 56.2 m -56.63 -52.51 64.61 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -177.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.402 ' HA ' HD12 ' A' ' 52' ' ' ILE . 88.1 p -66.14 -38.32 87.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.838 0.352 . . . . 0.0 111.183 -176.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -63.15 -39.28 94.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.44 -176.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.726 HD23 HD11 ' B' ' 92' ' ' ILE . 1.0 OUTLIER -74.43 -29.24 61.41 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.365 -0.534 . . . . 0.0 111.604 178.917 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.584 ' CD1' HD13 ' A' ' 38' ' ' ILE . 71.1 mt -63.38 -44.88 99.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.978 0.418 . . . . 0.0 110.172 171.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -61.24 -43.23 99.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.892 178.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -62.3 -41.51 98.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.19 -0.913 . . . . 0.0 110.701 175.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.558 ' CD2' HD13 ' B' ' 83' ' ' LEU . 59.3 t80 -56.45 -51.52 68.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.563 178.026 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.559 ' CG2' ' HA ' ' A' ' 62' ' ' LEU . 74.5 mt -61.13 -38.89 80.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.611 -177.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -66.44 -43.32 85.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.397 177.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -57.6 -31.2 65.98 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.972 -177.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.53 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 51.4 mm-40 -83.06 -1.9 53.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.824 0.345 . . . . 0.0 111.183 -176.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.61 -17.59 10.2 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.484 -0.865 . . . . 0.0 112.678 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 145.04 -177.63 23.35 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.243 -0.98 . . . . 0.0 113.317 177.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.559 ' HA ' ' CG2' ' A' ' 56' ' ' ILE . 72.8 mt -60.45 -36.59 78.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.389 -0.406 . . . . 0.0 111.489 -175.333 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -77.13 -18.56 57.81 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.105 -176.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.442 ' O ' ' HG3' ' A' ' 68' ' ' GLU . . . -64.08 -58.31 7.05 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 -173.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.769 ' HB ' HG21 ' B' ' 79' ' ' VAL . 3.0 m -74.8 -22.48 17.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.888 0.851 . . . . 0.0 109.383 -176.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 54.2 ttt180 -67.49 -28.92 68.24 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.154 -1.384 . . . . 0.0 109.701 177.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -87.86 -28.58 21.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.979 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.573 ' HG3' ' HA ' ' A' ' 65' ' ' VAL . 21.3 mt-10 -62.06 -19.55 63.04 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 120.608 0.242 . . . . 0.0 111.521 -176.458 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 49.1 mtt -61.59 -32.26 72.35 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.235 0.54 . . . . 0.0 110.725 175.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.446 -0.658 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.655 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.769 HG21 ' HB ' ' A' ' 65' ' ' VAL . 2.4 p . . . . . 0 CA--C 1.542 0.659 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.86 -37.46 43.41 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 113.296 0.85 . . . . 0.0 113.296 -174.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' GLN . . . . . 0.515 ' HG3' ' N ' ' B' ' 82' ' ' ARG . 3.3 pt20 -69.86 -35.39 74.66 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.862 -177.125 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . 0.515 ' N ' ' HG3' ' B' ' 81' ' ' GLN . 34.8 ttm180 -68.49 -18.42 64.39 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.608 0.718 . . . . 0.0 110.134 -177.241 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 0.558 HD13 ' CD2' ' A' ' 55' ' ' PHE . 32.7 tp -83.35 -44.37 14.93 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.052 -0.977 . . . . 0.0 110.924 -176.201 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 51.9 mtm -60.42 -37.33 80.56 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.909 0.385 . . . . 0.0 110.731 178.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . 0.484 ' O ' ' HG2' ' B' ' 89' ' ' GLU . 3.0 tt0 -71.96 -39.13 69.58 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.33 179.038 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . 0.552 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 46.8 t60 -63.19 -29.14 70.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.733 179.494 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . 0.779 HD22 HG12 ' B' ' 92' ' ' ILE . 64.1 mt -86.32 -47.3 9.5 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.846 179.469 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.02 -38.95 54.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.513 -0.767 . . . . 0.0 112.103 -178.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' B' ' 85' ' ' GLN . 6.2 mm-40 -60.84 -29.12 69.31 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -102.43 2.08 36.09 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.4 0.518 . . . . 0.0 112.4 -172.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 83.55 29.58 32.35 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 120.541 -0.838 . . . . 0.0 113.514 175.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . 0.779 HG12 HD22 ' B' ' 87' ' ' LEU . 1.6 mp -59.51 141.77 15.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.785 0.326 . . . . 0.0 111.499 174.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . 0.603 HE21 ' HA ' ' B' ' 93' ' ' GLN . 0.1 OUTLIER . . . . . 0 CA--C 1.532 0.273 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.254 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.784 HG22 HD11 ' A' ' 62' ' ' LEU . 20.7 t . . . . . 0 C--O 1.234 0.259 0 CA-C-O 121.229 0.538 . . . . 0.0 111.768 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 112.24 36.54 1.61 Allowed Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 110.202 -1.159 . . . . 0.0 110.202 -170.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.573 ' CZ2' ' HA ' ' A' ' 16' ' ' PRO . 55.0 t90 -126.7 129.41 48.37 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.462 -0.369 . . . . 0.0 110.536 -176.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.621 ' HB2' ' HB3' ' A' ' 18' ' ' ASN . 24.1 m-20 -107.88 129.18 24.5 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.615 174.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.573 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 51.2 Cg_exo -54.37 -24.58 35.64 Favored 'Trans proline' 0 N--CA 1.475 0.438 0 C-N-CA 123.835 3.023 . . . . 0.0 114.149 -174.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -104.11 -38.5 6.9 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.989 0.423 . . . . 0.0 111.341 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.621 ' HB3' ' HB2' ' A' ' 15' ' ' ASP . 9.0 t30 -86.65 -35.37 19.39 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.844 -172.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.16 -165.94 12.58 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.37 -178.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.478 ' HE2' ' HB ' ' A' ' 52' ' ' ILE . 63.3 m-85 -74.82 147.11 41.47 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.79 0.329 . . . . 0.0 110.484 178.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -76.53 94.96 3.79 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 174.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.689 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 7.3 p -67.51 -23.96 30.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.165 -0.47 . . . . 0.0 112.093 -170.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -90.34 -5.36 56.32 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.848 0.356 . . . . 0.0 111.056 178.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -121.73 25.08 9.44 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.1 0.476 . . . . 0.0 110.267 172.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.689 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 11.3 mt -66.12 121.62 15.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.432 -179.459 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -56.38 127.95 72.56 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.58 -0.737 . . . . 0.0 109.675 172.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.432 ' O ' ' HB2' ' A' ' 30' ' ' ARG . 65.8 Cg_exo -51.76 -30.98 39.84 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 124.007 3.138 . . . . 0.0 113.766 -175.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.1 -42.92 65.56 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 178.295 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.551 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 82.5 mt -62.96 -40.56 98.05 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.486 174.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.432 ' HB2' ' O ' ' A' ' 27' ' ' PRO . 74.2 mtt180 -51.32 -50.26 59.74 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.21 174.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.1 t -58.59 -49.05 78.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.01 -0.996 . . . . 0.0 110.655 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.614 HD13 HG13 ' B' ' 79' ' ' VAL . 49.2 tp -65.95 -52.03 53.28 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.294 -173.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.551 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 19.6 m-30 -63.45 -41.51 98.64 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.243 -171.38 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.1 t -62.36 -36.72 83.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.302 0.573 . . . . 0.0 110.294 177.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.8 mtt180 -69.23 -36.07 76.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.896 175.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.01 0.03 29.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.567 -176.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.52 -11.08 71.16 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 121.051 -0.595 . . . . 0.0 111.911 177.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.756 HD13 HD13 ' A' ' 52' ' ' ILE . 41.5 mt -65.16 119.73 10.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 C-N-CA 122.953 0.501 . . . . 0.0 110.869 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.0 t -99.38 174.9 6.06 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.122 177.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.506 ' HG3' HG21 ' A' ' 22' ' ' VAL . 47.1 tt0 -49.29 -42.15 40.3 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.126 0.489 . . . . 0.0 110.923 178.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.9 -52.82 63.93 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.172 -179.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.668 ' HB3' HG21 ' A' ' 48' ' ' THR . 46.4 mt-30 -59.45 -36.82 76.68 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.887 -178.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.62 HD13 HD11 ' A' ' 25' ' ' LEU . 93.5 mt -68.29 -20.87 64.8 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.794 178.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.8 p -110.66 18.16 19.95 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.471 0.653 . . . . 0.0 110.03 177.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -95.79 138.62 33.18 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.938 175.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.26 -65.79 0.59 Allowed 'General case' 0 C--N 1.318 -0.795 0 O-C-N 123.501 0.501 . . . . 0.0 111.609 -174.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.434 ' H ' ' CD ' ' A' ' 47' ' ' GLU . 0.8 OUTLIER -65.86 -41.13 92.05 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.902 -175.905 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.668 HG21 ' HB3' ' A' ' 42' ' ' GLN . 17.5 m -59.61 -58.02 10.42 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -178.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 92.5 p -62.87 -34.67 77.86 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.792 0.33 . . . . 0.0 110.581 -176.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.534 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 88.6 tttt -57.39 -44.42 84.49 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.199 176.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.8 HD23 HD11 ' B' ' 92' ' ' ILE . 1.7 mm? -75.54 -35.84 60.61 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 179.476 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.756 HD13 HD13 ' A' ' 38' ' ' ILE . 43.9 mt -59.08 -49.8 82.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.824 177.039 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -66.0 -39.64 90.48 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.546 -0.461 . . . . 0.0 110.132 177.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.405 ' HB3' ' HA ' ' A' ' 51' ' ' LEU . 17.7 t70 -56.41 -38.8 72.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.306 176.141 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.62 ' HB2' ' CD2' ' B' ' 86' ' ' HIS . 48.0 t80 -62.58 -50.93 69.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.869 175.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 72.3 mt -62.12 -40.74 88.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.632 -178.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -68.39 -35.02 77.07 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.607 178.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -63.3 -32.07 73.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.256 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 49.2 mm-40 -81.31 -6.12 58.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.149 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.76 -28.16 6.84 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.001 -178.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 152.37 -172.05 31.58 Favored Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 120.453 -0.88 . . . . 0.0 112.818 177.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.784 HD11 HG22 ' A' ' 12' ' ' VAL . 8.6 mp -56.82 -54.92 40.92 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 122.788 0.435 . . . . 0.0 111.833 -175.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.685 ' HA ' ' HD3' ' A' ' 66' ' ' ARG . 32.4 mt-10 -63.4 -24.39 67.82 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.134 -175.198 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.91 -49.32 73.14 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.602 -177.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.975 ' HA ' ' HG3' ' A' ' 68' ' ' GLU . 4.1 m -72.48 -21.55 20.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.225 0 CA-C-O 121.269 0.557 . . . . 0.0 110.409 -178.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.685 ' HD3' ' HA ' ' A' ' 63' ' ' GLU . 73.8 mtp180 -73.21 -26.0 60.97 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.716 177.346 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.5 ' HG3' ' O ' ' A' ' 63' ' ' GLU . 27.3 mt-30 -81.34 -27.31 35.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.71 176.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.975 ' HG3' ' HA ' ' A' ' 65' ' ' VAL . 6.2 mt-10 -64.4 -24.19 67.55 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 175.236 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.431 ' HB2' ' O ' ' A' ' 66' ' ' ARG . 38.1 mtt -61.19 -33.4 73.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.843 174.329 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 . . . . . 0 C--N 1.324 -0.527 0 CA-C-O 121.301 0.572 . . . . 0.0 109.805 178.587 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.614 HG13 HD13 ' A' ' 32' ' ' LEU . 2.6 p . . . . . 0 CA--C 1.543 0.691 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.84 -38.69 89.15 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -177.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -71.56 -23.88 61.83 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-O 121.707 0.765 . . . . 0.0 109.484 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . 0.42 ' HG2' ' HE1' ' A' ' 55' ' ' PHE . 64.7 ttt180 -78.21 -15.79 58.47 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.504 -1.226 . . . . 0.0 110.112 -177.73 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 0.559 HD13 ' CD1' ' A' ' 38' ' ' ILE . 0.5 OUTLIER -82.43 -40.99 20.44 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.434 -179.813 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 59.6 mtt -57.94 -41.19 82.29 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.003 177.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -60.74 -33.33 72.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.038 178.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . 0.62 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 46.8 t60 -84.02 -18.26 37.7 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.885 -172.102 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . 0.604 HD12 HG13 ' B' ' 92' ' ' ILE . 0.3 OUTLIER -89.56 -37.8 14.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.136 0.493 . . . . 0.0 109.868 173.238 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.65 -14.75 61.85 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.007 -178.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . 0.8 ' HG3' ' CD2' ' B' ' 90' ' ' HIS . 9.5 pt-20 -93.38 -2.64 54.51 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -177.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 90' ' ' HIS . . . . . 0.8 ' CD2' ' HG3' ' B' ' 89' ' ' GLU . 94.0 m-70 -131.33 23.92 4.82 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -178.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.8 39.42 87.43 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.92 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . 0.8 HD11 HD23 ' A' ' 51' ' ' LEU . 29.2 mm -79.88 148.67 5.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 120.745 0.307 . . . . 0.0 110.983 -176.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.695 -178.068 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.746 HG13 HD21 ' A' ' 62' ' ' LEU . 47.1 t . . . . . 0 CA--C 1.541 0.615 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 99.72 19.44 20.02 Favored Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 -171.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.431 ' CZ2' ' HA ' ' A' ' 16' ' ' PRO . 38.3 t90 -108.5 139.35 43.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.619 -0.79 . . . . 0.0 110.462 -177.544 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.638 ' HB3' ' HB2' ' A' ' 18' ' ' ASN . 15.2 t70 -110.84 137.95 20.97 Favored Pre-proline 0 C--N 1.323 -0.587 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 174.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.448 ' HD2' ' CG ' ' A' ' 15' ' ' ASP . 80.4 Cg_exo -28.57 -75.0 0.03 OUTLIER 'Trans proline' 0 CA--C 1.533 0.456 0 C-N-CA 125.228 3.952 . . . . 0.0 115.101 -174.44 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -105.94 -0.82 24.72 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 -179.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.638 ' HB2' ' HB3' ' A' ' 15' ' ' ASP . 47.8 m-80 -90.44 -19.98 23.29 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.764 0.316 . . . . 0.0 111.253 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.808 ' HA3' ' HA ' ' A' ' 44' ' ' THR . . . 91.56 -163.74 28.78 Favored Glycine 0 N--CA 1.442 -0.945 0 C-N-CA 120.61 -0.805 . . . . 0.0 113.434 174.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.493 ' HB2' ' HG ' ' A' ' 43' ' ' LEU . 56.9 m-85 -84.74 145.61 27.83 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 179.668 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -74.53 103.38 4.84 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 177.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.652 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 17.5 m -72.03 -4.69 5.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.419 -175.328 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -85.64 -41.11 15.49 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.694 -0.23 . . . . 0.0 110.616 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -110.72 35.63 3.42 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.205 0.526 . . . . 0.0 111.243 177.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.652 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 13.8 mt -65.1 133.75 52.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.835 176.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.421 ' HB3' HD12 ' A' ' 29' ' ' LEU . 12.7 t70 -65.3 133.78 95.58 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.682 173.498 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 26' ' ' ASP . 85.7 Cg_exo -49.15 -34.72 31.41 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 124.29 3.327 . . . . 0.0 114.323 -177.247 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -79.82 -41.01 27.26 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.404 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.454 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 96.1 mt -59.4 -48.24 82.4 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 109.595 -0.521 . . . . 0.0 109.595 172.209 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -53.12 -49.1 67.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.862 178.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.3 t -61.34 -48.21 82.34 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.146 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.582 HD21 ' HB ' ' B' ' 79' ' ' VAL . 61.9 tp -63.2 -55.35 25.8 Favored 'General case' 0 CA--C 1.51 -0.596 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -174.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.499 ' HZ ' HD11 ' A' ' 56' ' ' ILE . 20.1 m-30 -57.46 -46.25 83.87 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.105 -173.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.1 t -62.37 -34.06 75.96 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.733 177.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 35.3 ttt180 -76.67 -28.62 56.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.227 0.537 . . . . 0.0 110.634 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.4 ' O ' ' HG2' ' B' ' 84' ' ' MET . . . -83.84 -10.1 58.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.192 -177.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 113.09 -18.36 21.46 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.232 178.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.914 HG12 HD11 ' A' ' 52' ' ' ILE . 4.2 mp -72.25 121.12 21.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 78.8 p -92.58 178.16 5.89 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 176.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -60.53 -37.72 82.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.327 0.584 . . . . 0.0 109.864 177.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.32 -55.49 17.96 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.606 177.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.843 ' HG2' HG21 ' A' ' 48' ' ' THR . 13.2 tt0 -59.99 -33.92 72.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.151 0.5 . . . . 0.0 110.577 -177.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.493 ' HG ' ' HB2' ' A' ' 20' ' ' PHE . 23.3 tp -67.26 -17.74 64.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.277 -178.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.808 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 18.9 p -111.82 13.01 20.98 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.99 0.424 . . . . 0.0 110.915 179.25 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.56 151.18 26.52 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.979 174.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.33 -65.57 0.58 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -172.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.597 ' H ' ' CD ' ' A' ' 47' ' ' GLU . 1.0 OUTLIER -74.91 -33.4 62.0 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.337 -173.392 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.843 HG21 ' HG2' ' A' ' 42' ' ' GLN . 7.8 m -60.64 -58.89 6.54 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.505 ' CB ' ' HA2' ' A' ' 19' ' ' GLY . 80.9 p -64.04 -39.73 94.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.258 -173.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -57.07 -39.19 74.48 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.692 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.437 HD12 HD11 ' B' ' 92' ' ' ILE . 29.6 mt -74.71 -39.05 62.16 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.066 178.298 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.914 HD11 HG12 ' A' ' 38' ' ' ILE . 69.5 mt -58.16 -44.63 88.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.794 0.33 . . . . 0.0 111.524 175.159 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -60.57 -48.11 83.2 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.841 0.353 . . . . 0.0 110.724 178.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -59.5 -39.7 84.66 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.357 0.599 . . . . 0.0 110.536 174.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.93 ' HE1' ' HG3' ' B' ' 82' ' ' ARG . 51.9 t80 -55.3 -56.85 15.28 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.902 176.472 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.627 HG23 HG21 ' A' ' 65' ' ' VAL . 80.2 mt -57.55 -35.56 50.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.358 -177.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -73.18 -21.01 60.76 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.351 -178.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.402 ' HB3' ' O ' ' A' ' 55' ' ' PHE . 29.6 t70 -69.66 -36.72 76.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.021 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -80.58 -5.89 57.47 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.856 -0.338 . . . . 0.0 111.246 178.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.92 -24.83 8.18 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.51 -0.852 . . . . 0.0 112.305 178.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 145.05 -173.8 25.36 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.089 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.746 HD21 HG13 ' A' ' 12' ' ' VAL . 10.5 mp -64.01 -42.71 97.05 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -174.517 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.8 mp0 -54.36 -44.8 72.49 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.753 0.311 . . . . 0.0 111.2 178.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.44 -42.7 78.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -177.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.627 HG21 HG23 ' A' ' 56' ' ' ILE . 46.3 t -63.04 -38.0 80.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.465 -177.049 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.511 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 50.4 mtp180 -64.5 -28.4 69.63 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.855 179.51 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -86.23 -32.58 21.09 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.594 -175.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.584 ' HB2' HG22 ' B' ' 79' ' ' VAL . 6.6 mm-40 -47.87 -32.89 6.74 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 123.83 0.706 . . . . 0.0 111.576 -178.498 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.4 ' HE2' ' HB2' ' A' ' 32' ' ' LEU . 47.8 mtt -49.89 -38.48 35.94 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.36 -178.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.445 -0.699 0 CA-C-N 115.043 -0.981 . . . . 0.0 109.977 -178.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.679 HG12 ' CZ ' ' A' ' 55' ' ' PHE . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.163 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.436 ' O ' ' HG3' ' B' ' 84' ' ' MET . . . -53.2 -58.72 6.07 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -175.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -73.6 -26.6 60.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.339 0.59 . . . . 0.0 109.993 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . 0.93 ' HG3' ' HE1' ' A' ' 55' ' ' PHE . 11.1 tpt180 -64.07 -29.95 71.05 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.188 -0.914 . . . . 0.0 109.541 177.425 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 0.692 ' HG ' ' CE2' ' A' ' 55' ' ' PHE . 1.8 mt -76.13 -45.16 35.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.347 175.43 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' MET . . . . . 0.436 ' HG3' ' O ' ' B' ' 80' ' ' ALA . 63.3 mtt -51.95 -48.68 64.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.913 -178.212 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -67.48 -28.07 67.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.952 179.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . 0.443 ' O ' ' HD2' ' B' ' 90' ' ' HIS . 39.1 t60 -73.59 -28.57 61.9 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.197 -175.603 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . 0.653 HD12 HG13 ' B' ' 92' ' ' ILE . 2.3 mm? -92.11 -46.09 7.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.912 0.387 . . . . 0.0 111.141 177.354 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.24 -31.22 71.02 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -172.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -82.57 2.13 34.68 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -176.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 90' ' ' HIS . . . . . 0.443 ' HD2' ' O ' ' B' ' 86' ' ' HIS . 96.4 m-70 -125.56 15.68 8.19 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.404 -0.519 . . . . 0.0 111.716 -179.608 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 59.92 38.27 93.87 Favored Glycine 0 C--N 1.329 0.188 0 C-N-CA 120.955 -0.64 . . . . 0.0 112.565 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . 0.653 HG13 HD12 ' B' ' 87' ' ' LEU . 22.5 mm -69.33 146.56 12.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 120.829 0.347 . . . . 0.0 111.351 -177.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 . . . . . 0 C--N 1.333 -0.151 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.391 178.203 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.541 0.615 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.72 18.51 58.2 Favored Glycine 0 N--CA 1.453 -0.191 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.716 -178.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.556 ' CZ2' ' HA ' ' A' ' 16' ' ' PRO . 64.4 t90 -105.89 135.54 47.14 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.04 0.448 . . . . 0.0 111.34 -178.54 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.688 ' HB3' ' HB2' ' A' ' 18' ' ' ASN . 9.8 t70 -117.42 135.63 23.26 Favored Pre-proline 0 C--N 1.322 -0.592 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 173.279 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.556 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 10.9 Cg_endo -53.63 -29.98 53.35 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 123.602 2.868 . . . . 0.0 113.923 -175.486 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -106.28 -42.3 5.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.661 0.267 . . . . 0.0 111.672 179.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.688 ' HB2' ' HB3' ' A' ' 15' ' ' ASP . 2.7 m-20 -76.82 -26.49 54.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.684 -174.436 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 91.59 -157.56 24.69 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.899 -0.667 . . . . 0.0 111.782 -177.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.641 ' HB2' ' HB3' ' A' ' 43' ' ' LEU . 60.6 m-85 -77.51 122.16 24.86 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 175.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -68.33 105.79 2.27 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 178.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.652 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 17.5 m -69.24 -11.59 15.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.472 -172.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.485 HD22 ' ND2' ' A' ' 24' ' ' ASN . 6.0 t30 -82.74 -39.92 21.23 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.343 0.592 . . . . 0.0 110.21 176.193 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.485 ' ND2' HD22 ' A' ' 23' ' ' ASN . 36.8 m-80 -96.58 16.21 19.45 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.633 -177.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.652 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 26.0 mt -66.18 124.35 22.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.006 0.431 . . . . 0.0 111.443 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.424 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 8.1 t70 -64.84 130.23 94.73 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 115.422 -0.808 . . . . 0.0 108.975 172.257 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 26' ' ' ASP . 77.6 Cg_exo -51.78 -29.93 35.95 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 123.774 2.982 . . . . 0.0 113.735 -178.001 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.681 ' HB3' HH21 ' A' ' 66' ' ' ARG . 32.0 t70 -77.07 -41.51 42.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.891 0.377 . . . . 0.0 110.116 -179.378 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.418 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 96.0 mt -63.4 -47.51 81.7 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 121.172 0.51 . . . . 0.0 109.777 172.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -56.73 -38.92 73.04 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.964 179.009 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.2 t -56.15 -48.02 77.09 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.091 177.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.493 ' CD1' HG13 ' B' ' 79' ' ' VAL . 61.6 tp -67.05 -51.97 48.02 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.249 -177.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.437 ' HB3' HD21 ' A' ' 43' ' ' LEU . 14.9 m-30 -60.8 -42.59 97.93 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.653 -174.348 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.5 t -65.96 -32.39 73.85 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.461 177.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -76.57 -26.45 55.1 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.437 0.637 . . . . 0.0 110.043 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.17 -3.99 56.08 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.882 179.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.25 -7.54 80.44 Favored Glycine 0 N--CA 1.453 -0.201 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.299 179.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.727 HD13 HD11 ' A' ' 52' ' ' ILE . 20.3 mt -76.06 111.33 12.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 120.955 0.407 . . . . 0.0 110.683 -179.084 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 67.9 p -75.97 167.06 22.57 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.852 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.47 ' HB3' HG11 ' A' ' 22' ' ' VAL . 1.9 mp0 -53.27 -45.69 68.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.074 0.464 . . . . 0.0 110.485 177.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.39 -42.98 99.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.75 179.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.897 ' HG2' HG21 ' A' ' 48' ' ' THR . 41.5 tt0 -62.05 -32.75 73.3 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.339 -178.45 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.653 ' O ' ' HB3' ' A' ' 49' ' ' SER . 68.8 mt -70.17 -17.46 63.17 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.452 178.729 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.1 p -98.78 5.41 47.53 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.107 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -76.06 132.37 40.06 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 170.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -50.75 -57.28 8.74 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.249 0.462 . . . . 0.0 112.249 -172.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.436 ' H ' ' CD ' ' A' ' 47' ' ' GLU . 1.5 pm0 -69.75 -44.85 69.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.369 -177.232 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.897 HG21 ' HG2' ' A' ' 42' ' ' GLN . 9.0 m -53.74 -51.97 61.64 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.786 0.327 . . . . 0.0 111.299 179.261 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.653 ' HB3' ' O ' ' A' ' 43' ' ' LEU . 60.2 p -65.22 -48.7 72.4 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.12 -178.241 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -57.47 -37.67 73.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.682 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.773 ' HA ' ' HB3' ' A' ' 54' ' ' ASP . 35.7 mt -85.39 -15.21 43.85 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -177.423 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.727 HD11 HD13 ' A' ' 38' ' ' ILE . 96.8 mt -78.23 -37.06 21.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 C-N-CA 120.13 -0.628 . . . . 0.0 109.934 167.122 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -65.21 -47.63 76.19 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 173.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.773 ' HB3' ' HA ' ' A' ' 51' ' ' LEU . 1.5 t70 -52.38 -36.95 55.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.482 171.338 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.807 ' HE1' ' HG3' ' B' ' 82' ' ' ARG . 60.3 t80 -66.58 -57.43 7.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.129 -179.578 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.407 ' CG2' ' HA ' ' A' ' 62' ' ' LEU . 84.6 mt -56.2 -41.31 69.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.423 -179.325 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -63.56 -50.19 70.46 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.393 -0.822 . . . . 0.0 111.079 175.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -54.21 -34.7 61.22 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.685 177.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.524 ' HG3' HG12 ' A' ' 65' ' ' VAL . 32.0 mm-40 -70.86 -11.71 61.12 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.929 0.395 . . . . 0.0 110.889 179.678 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 120.17 -0.92 13.07 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.748 -0.739 . . . . 0.0 113.141 178.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 133.79 -179.41 17.49 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.133 -1.032 . . . . 0.0 112.861 176.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.407 ' HA ' ' CG2' ' A' ' 56' ' ' ILE . 87.7 mt -58.68 -45.56 89.18 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -172.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -67.24 -25.13 65.94 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.327 0.492 . . . . 0.0 112.327 -176.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.423 ' O ' ' HG3' ' A' ' 68' ' ' GLU . . . -56.52 -61.08 2.66 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -170.001 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.606 ' HB ' HG21 ' B' ' 79' ' ' VAL . 1.4 m -65.02 -26.08 39.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.494 0.664 . . . . 0.0 110.689 -173.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.681 HH21 ' HB3' ' A' ' 28' ' ' ASP . 41.4 mtp180 -73.4 -26.09 60.83 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.03 -177.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -91.84 -22.28 20.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.317 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.594 ' HB2' ' HB ' ' B' ' 79' ' ' VAL . 13.6 mt-10 -68.5 -15.59 63.6 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 120.777 0.322 . . . . 0.0 111.122 -179.446 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 47.6 mtt -61.54 -24.79 66.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.323 0.582 . . . . 0.0 110.026 171.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 64.2 mtp180 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 115.243 -0.889 . . . . 0.0 109.694 -177.094 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.606 HG21 ' HB ' ' A' ' 65' ' ' VAL . 2.5 p . . . . . 0 CA--C 1.541 0.622 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.646 ' O ' ' HG3' ' B' ' 84' ' ' MET . . . -48.3 -45.97 35.59 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -179.055 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -64.39 -37.03 86.08 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.904 0.383 . . . . 0.0 111.223 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . 0.807 ' HG3' ' HE1' ' A' ' 55' ' ' PHE . 0.8 OUTLIER -65.7 -30.47 71.15 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-O 121.562 0.696 . . . . 0.0 109.642 178.529 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 0.607 HD13 ' CD2' ' A' ' 55' ' ' PHE . 49.8 tp -81.03 -44.74 17.61 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.013 -0.994 . . . . 0.0 111.649 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' MET . . . . . 0.646 ' HG3' ' O ' ' B' ' 80' ' ' ALA . 54.8 mtt -48.36 -55.17 11.43 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 121.314 0.578 . . . . 0.0 110.922 -177.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . 0.596 ' O ' ' HG3' ' B' ' 89' ' ' GLU . 42.3 mt-30 -69.12 -28.97 66.95 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.479 -178.15 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . 0.471 ' O ' ' HD2' ' B' ' 90' ' ' HIS . 44.0 t60 -59.02 -31.97 69.31 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.254 -177.26 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . 0.574 HD12 HG12 ' B' ' 92' ' ' ILE . 1.5 mm? -83.49 -35.71 24.67 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.581 -0.448 . . . . 0.0 110.692 176.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.01 -32.15 73.59 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.185 -178.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . 0.596 ' HG3' ' O ' ' B' ' 85' ' ' GLN . 49.4 mt-10 -65.72 -17.66 64.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.784 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 90' ' ' HIS . . . . . 0.471 ' HD2' ' O ' ' B' ' 86' ' ' HIS . 95.1 m-70 -120.53 4.12 10.68 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -172.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 79.24 32.57 38.52 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 120.701 -0.761 . . . . 0.0 113.624 175.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . 0.595 HD11 HD12 ' A' ' 51' ' ' LEU . 1.4 mp -60.81 145.83 12.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 C-N-CA 122.933 0.493 . . . . 0.0 111.805 175.336 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . 0.417 HE22 ' CD ' ' A' ' 47' ' ' GLU . 1.4 mp0 . . . . . 0 C--N 1.333 -0.121 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.97 176.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.611 HG21 ' HE1' ' A' ' 53' ' ' TYR . 15.8 t . . . . . 0 CA--C 1.54 0.578 0 CA-C-O 121.437 0.637 . . . . 0.0 111.807 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 64.77 32.06 82.97 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.727 -0.749 . . . . 0.0 111.369 -174.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.501 ' CZ2' ' HA ' ' A' ' 16' ' ' PRO . 56.4 t90 -111.71 138.29 48.47 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.218 0.532 . . . . 0.0 111.477 -176.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.417 ' HB3' ' HB2' ' A' ' 18' ' ' ASN . 12.2 t70 -120.76 132.18 24.25 Favored Pre-proline 0 C--N 1.323 -0.545 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 172.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.501 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 9.3 Cg_endo -52.08 -29.77 37.98 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 123.918 3.079 . . . . 0.0 114.137 -175.029 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -105.38 -42.5 5.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.796 0.331 . . . . 0.0 111.539 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.417 ' HB2' ' HB3' ' A' ' 15' ' ' ASP . 36.2 m-80 -84.06 -12.72 54.68 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -173.426 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.81 ' HA3' ' HA ' ' A' ' 44' ' ' THR . . . 86.42 -161.85 34.32 Favored Glycine 0 N--CA 1.442 -0.93 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.792 177.427 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.502 ' HB2' ' HG ' ' A' ' 43' ' ' LEU . 55.5 m-85 -81.44 143.96 31.74 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 178.195 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -70.26 101.83 1.98 Allowed 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 176.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.673 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 16.4 m -68.24 -14.02 17.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -174.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -88.6 -39.61 13.97 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.271 0.558 . . . . 0.0 109.878 176.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -97.73 29.91 3.18 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.337 179.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.673 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 7.1 mt -66.86 133.43 50.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.604 -178.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.522 ' HB3' ' HB2' ' A' ' 29' ' ' LEU . 11.2 t70 -59.9 132.47 89.43 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.21 -0.904 . . . . 0.0 109.639 173.414 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 26' ' ' ASP . 63.6 Cg_exo -51.54 -31.71 40.75 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 123.9 3.067 . . . . 0.0 113.755 -176.519 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -84.6 -45.15 12.82 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.522 ' HB2' ' HB3' ' A' ' 26' ' ' ASP . 6.9 mp -49.76 -52.78 29.24 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 120.736 0.303 . . . . 0.0 111.25 171.053 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -56.11 -43.07 77.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.224 -178.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.5 t -67.29 -46.6 73.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.347 0.594 . . . . 0.0 110.388 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.823 HD21 HG13 ' B' ' 79' ' ' VAL . 2.5 tm? -62.64 -55.2 29.2 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.388 -175.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.629 ' HB3' ' HB ' ' A' ' 38' ' ' ILE . 18.2 m-85 -59.71 -33.37 71.51 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.534 -178.357 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.4 t -66.29 -31.16 71.8 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.187 178.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -79.53 -40.96 28.35 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.413 0.625 . . . . 0.0 110.13 175.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.487 ' HB1' ' HB3' ' B' ' 83' ' ' LEU . . . -70.32 -16.7 63.03 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.889 -1.051 . . . . 0.0 111.606 -175.015 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 106.66 -3.15 36.44 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.849 174.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.629 ' HB ' ' HB3' ' A' ' 33' ' ' PHE . 5.0 mp -75.78 115.85 17.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.878 0.371 . . . . 0.0 110.416 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.8 t -91.87 164.96 13.48 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 174.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -48.23 -47.23 35.95 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 122.738 0.415 . . . . 0.0 111.84 -175.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.61 -53.05 62.53 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-O 120.873 0.368 . . . . 0.0 110.78 178.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 1.001 ' HG2' HG21 ' A' ' 48' ' ' THR . 21.8 tt0 -55.35 -38.8 69.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.585 0.707 . . . . 0.0 110.182 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.599 HD21 HD21 ' A' ' 25' ' ' LEU . 30.8 tp -71.37 -13.04 61.73 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.169 -177.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.81 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 22.9 p -118.16 20.01 13.34 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.91 -179.486 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -90.67 150.15 21.78 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.23 173.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.85 -63.41 1.16 Allowed 'General case' 0 C--O 1.237 0.429 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -171.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.405 ' H ' ' CD ' ' A' ' 47' ' ' GLU . 1.2 pm0 -75.05 -36.95 61.8 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.674 -174.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 1.001 HG21 ' HG2' ' A' ' 42' ' ' GLN . 17.8 m -61.39 -56.57 18.85 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.832 -176.052 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.581 ' CB ' ' HA2' ' A' ' 19' ' ' GLY . 77.9 p -60.69 -40.54 92.56 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.068 0.461 . . . . 0.0 110.969 -176.548 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.425 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 4.4 ttmp? -62.65 -42.53 99.66 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.494 -179.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 1.029 HD12 HD11 ' B' ' 92' ' ' ILE . 45.5 mt -74.74 -31.01 61.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.343 179.176 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.645 ' O ' ' HB3' ' A' ' 55' ' ' PHE . 57.4 mt -62.6 -45.47 98.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.757 172.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.611 ' HE1' HG21 ' A' ' 12' ' ' VAL . 87.8 t80 -67.34 -39.56 85.79 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.237 -0.585 . . . . 0.0 110.037 177.297 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.409 ' HB3' ' HA ' ' A' ' 51' ' ' LEU . 20.1 t70 -57.67 -37.0 72.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.39 0.614 . . . . 0.0 109.953 174.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.645 ' HB3' ' O ' ' A' ' 52' ' ' ILE . 50.1 t80 -59.46 -54.28 48.49 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.437 174.176 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.499 HG12 HG21 ' A' ' 65' ' ' VAL . 69.9 mt -56.68 -42.37 76.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.294 -0.867 . . . . 0.0 110.742 -179.432 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -57.11 -51.51 69.02 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.872 173.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -59.32 -31.1 68.86 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.183 -177.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.584 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 24.0 mm-40 -71.97 -14.99 62.06 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.154 0.502 . . . . 0.0 110.854 -178.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.18 9.4 8.77 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.241 -177.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 114.11 -178.11 18.08 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.708 176.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 29.0 tp -60.55 -38.46 84.55 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.984 0.365 . . . . 0.0 111.984 -174.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -66.06 -32.22 73.57 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.745 0.276 . . . . 0.0 111.745 -177.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.548 ' O ' ' HG3' ' A' ' 68' ' ' GLU . . . -60.94 -55.83 28.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.507 -174.454 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.499 HG21 HG12 ' A' ' 56' ' ' ILE . 43.4 t -60.71 -34.54 59.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.38 0.61 . . . . 0.0 110.898 -173.124 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 67.8 mtp180 -66.42 -32.46 73.86 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.027 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -94.18 -28.05 15.86 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.079 -0.51 . . . . 0.0 112.292 -174.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.548 ' HG3' ' O ' ' A' ' 64' ' ' ALA . 26.3 mt-10 -62.85 -17.03 60.86 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 121.187 -0.205 . . . . 0.0 111.475 -176.54 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.431 ' HE2' HD23 ' A' ' 32' ' ' LEU . 43.4 mtt -52.22 -37.4 54.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.374 0.607 . . . . 0.0 110.873 172.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 . . . . . 0 C--N 1.325 -0.481 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.401 -179.3 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.823 HG13 HD21 ' A' ' 32' ' ' LEU . 3.0 p . . . . . 0 CA--C 1.542 0.644 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.85 -45.03 63.86 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -62.05 -31.08 71.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.42 0.628 . . . . 0.0 110.484 -178.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.96 -19.02 62.6 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 114.817 -1.083 . . . . 0.0 110.748 -174.285 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 0.586 HD13 ' CD1' ' A' ' 38' ' ' ILE . 0.5 OUTLIER -85.58 -36.72 20.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.684 -176.924 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 62.9 mtt -56.25 -42.07 76.79 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.814 178.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -62.69 -50.99 68.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.07 178.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . 0.4 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 41.4 t60 -62.54 -26.24 68.46 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.708 -171.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . 0.511 HD22 HG13 ' B' ' 92' ' ' ILE . 84.1 mt -87.33 -49.95 6.9 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.933 0.397 . . . . 0.0 110.627 177.278 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.2 -31.95 70.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.389 -176.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -71.01 -20.34 62.41 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -174.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -101.92 -61.1 1.43 Allowed 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -172.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 142.99 64.22 0.02 OUTLIER Glycine 0 N--CA 1.453 -0.207 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -174.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . 1.029 HD11 HD12 ' A' ' 51' ' ' LEU . 4.7 mm -90.52 148.14 4.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -170.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.195 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.6 174.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.839 HG22 HD21 ' A' ' 62' ' ' LEU . 2.9 t . . . . . 0 CA--C 1.542 0.639 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 66.98 28.81 73.94 Favored Glycine 0 C--N 1.33 0.229 0 C-N-CA 120.483 -0.865 . . . . 0.0 110.997 -171.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.425 ' CZ2' ' HA ' ' A' ' 16' ' ' PRO . 70.0 t90 -116.16 142.04 47.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.377 -0.412 . . . . 0.0 111.242 -172.667 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -122.62 133.25 24.33 Favored Pre-proline 0 C--N 1.325 -0.492 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 174.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.425 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 10.1 Cg_endo -52.03 -27.37 28.53 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 123.642 2.895 . . . . 0.0 114.459 -175.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -104.83 -52.78 2.8 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.719 -0.392 . . . . 0.0 111.676 179.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -74.82 -17.78 60.56 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.635 -173.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.6 -157.03 26.2 Favored Glycine 0 N--CA 1.441 -0.996 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.959 176.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.422 ' HB3' HD21 ' A' ' 25' ' ' LEU . 94.4 m-85 -78.56 139.55 38.6 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.372 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -74.21 105.56 5.45 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 176.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.661 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 17.8 m -74.7 -3.26 4.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.495 -172.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -90.69 -32.95 15.98 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.944 0.402 . . . . 0.0 109.977 175.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.421 ' HA ' HD22 ' A' ' 24' ' ' ASN . 8.5 m120 -113.0 33.45 5.04 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.405 179.454 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.661 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 19.7 mt -69.38 123.31 20.9 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.615 175.292 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -63.55 140.43 97.76 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.934 177.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -41.14 -53.53 2.97 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 124.202 3.268 . . . . 0.0 114.004 -175.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.69 -49.44 73.14 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.708 -176.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.491 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 90.1 mt -56.15 -46.77 79.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.088 0.47 . . . . 0.0 110.569 175.492 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -34.78 76.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.232 -177.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.3 t -67.8 -51.6 46.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.826 175.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.759 HD13 HG13 ' B' ' 79' ' ' VAL . 50.0 tp -57.49 -57.26 13.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.961 -1.018 . . . . 0.0 112.582 -175.236 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.491 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 20.3 m-85 -59.43 -38.42 80.62 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.914 -170.662 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.7 t -66.03 -36.57 83.61 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.835 178.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -67.75 -39.41 84.21 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.4 0.619 . . . . 0.0 110.327 176.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.466 ' HB1' ' HB3' ' B' ' 83' ' ' LEU . . . -70.88 -11.27 60.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.769 -174.338 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.88 -1.51 58.0 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.794 178.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.602 HD13 HD13 ' A' ' 52' ' ' ILE . 8.6 mt -79.7 104.91 8.41 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.683 0 CA-C-O 120.977 0.418 . . . . 0.0 110.322 179.011 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.7 t -68.04 159.36 30.96 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.114 175.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -53.21 -38.52 62.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.913 0.387 . . . . 0.0 111.066 178.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.51 -41.13 98.53 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.09 0.471 . . . . 0.0 110.634 177.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 1.146 ' HG2' HG21 ' A' ' 48' ' ' THR . 8.5 tt0 -65.73 -28.23 68.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.64 -178.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 84.1 mt -70.79 -17.78 62.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.901 176.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 38.2 p -108.04 12.46 26.88 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.771 178.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.55 ' OD2' ' HA ' ' A' ' 42' ' ' GLN . 17.8 m-20 -89.84 135.06 33.86 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.91 172.651 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.48 -69.51 0.12 Allowed 'General case' 0 C--O 1.237 0.415 0 N-CA-C 113.326 0.862 . . . . 0.0 113.326 -169.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.432 ' H ' ' CD ' ' A' ' 47' ' ' GLU . 1.2 pm0 -62.97 -37.26 86.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.927 0.394 . . . . 0.0 110.817 -173.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 1.146 HG21 ' HG2' ' A' ' 42' ' ' GLN . 19.2 m -61.38 -55.93 26.02 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.031 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.0 t -61.51 -41.88 97.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.342 -173.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.425 ' HA ' ' HZ2' ' A' ' 14' ' ' TRP . 85.6 tttt -65.35 -38.35 89.83 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.599 -179.087 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.551 HD12 HD11 ' B' ' 92' ' ' ILE . 62.5 mt -75.36 -25.97 58.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.246 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.621 ' O ' ' HB3' ' A' ' 55' ' ' PHE . 57.0 mt -65.65 -43.68 93.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 CA-C-O 121.006 0.432 . . . . 0.0 110.321 170.193 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.546 ' HE1' HG21 ' A' ' 12' ' ' VAL . 88.4 t80 -65.96 -43.33 88.26 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 177.022 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.517 ' HB3' ' HA ' ' A' ' 51' ' ' LEU . 8.6 t70 -54.74 -35.09 63.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.418 173.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.87 ' HE1' ' HG3' ' B' ' 82' ' ' ARG . 35.4 t80 -66.11 -51.8 54.57 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.84 -1.073 . . . . 0.0 110.802 176.681 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 88.0 mt -57.99 -43.45 84.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.507 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -54.64 -52.59 61.81 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.617 172.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -56.82 -31.81 65.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.135 -0.939 . . . . 0.0 112.201 -178.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 85.1 mm-40 -78.89 -11.32 59.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.84 0.353 . . . . 0.0 111.416 -178.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.67 0.72 15.47 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.356 178.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 117.87 -165.14 12.65 Favored Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 120.862 -0.685 . . . . 0.0 111.766 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.839 HD21 HG22 ' A' ' 12' ' ' VAL . 9.1 mp -78.37 -44.52 24.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 117.147 0.473 . . . . 0.0 111.597 -170.001 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -60.15 -38.06 82.0 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.158 -177.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.571 ' O ' ' HG2' ' A' ' 68' ' ' GLU . . . -57.55 -52.92 63.42 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.239 179.076 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.47 ' CG1' HD22 ' A' ' 32' ' ' LEU . 87.6 t -58.39 -38.81 71.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.176 -176.254 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.531 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 69.9 mtp180 -61.16 -34.73 75.49 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.855 179.091 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -94.77 -20.83 19.16 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.965 -173.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.571 ' HG2' ' O ' ' A' ' 64' ' ' ALA . 27.8 mm-40 -56.4 -24.48 45.03 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 120.72 0.295 . . . . 0.0 110.775 179.221 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 51.2 mtt -57.82 -25.19 60.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.341 178.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 . . . . . 0 N--CA 1.452 -0.335 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.812 178.375 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.759 HG13 HD13 ' A' ' 32' ' ' LEU . 2.3 p . . . . . 0 CA--C 1.542 0.661 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.565 ' HB2' HD12 ' A' ' 32' ' ' LEU . . . -55.42 -27.61 48.93 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -70.38 -32.98 70.87 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.477 0.656 . . . . 0.0 110.368 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . 0.87 ' HG3' ' HE1' ' A' ' 55' ' ' PHE . 5.7 tpm_? -76.19 -24.18 54.72 Favored 'General case' 0 N--CA 1.436 -1.145 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.255 -175.285 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 0.604 ' HG ' ' CE2' ' A' ' 55' ' ' PHE . 0.6 OUTLIER -74.23 -43.26 57.78 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.84 -1.073 . . . . 0.0 110.48 179.858 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' MET . . . . . 0.408 ' HG2' ' O ' ' A' ' 36' ' ' ALA . 64.4 mtt -53.24 -50.22 65.22 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 121.347 0.594 . . . . 0.0 110.507 -178.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . 0.63 ' O ' ' HG3' ' B' ' 89' ' ' GLU . 21.7 mm-40 -64.07 -48.73 75.08 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.54 -179.237 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . 0.431 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 65.9 t60 -56.05 -33.81 65.31 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.866 -172.353 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . 0.551 HD22 HG12 ' B' ' 92' ' ' ILE . 75.2 mt -80.41 -52.09 8.07 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.115 0.483 . . . . 0.0 110.59 179.178 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.43 -25.02 64.0 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.573 -177.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . 0.63 ' HG3' ' O ' ' B' ' 85' ' ' GLN . 46.4 mt-10 -64.73 -23.99 67.42 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -104.58 -74.2 0.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.562 -0.455 . . . . 0.0 112.005 -174.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 162.75 44.65 0.02 OUTLIER Glycine 0 C--O 1.229 -0.156 0 C-N-CA 120.386 -0.912 . . . . 0.0 112.622 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . 0.551 HD11 HD12 ' A' ' 51' ' ' LEU . 1.7 mp -60.73 135.91 24.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.216 0.531 . . . . 0.0 112.17 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 . . . . . 0 C--N 1.325 -0.483 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 171.18 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.606 HG22 HD11 ' A' ' 62' ' ' LEU . 21.3 t . . . . . 0 CA--C 1.534 0.35 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -171.07 25.71 0.1 OUTLIER Glycine 0 N--CA 1.448 -0.534 0 N-CA-C 110.363 -1.095 . . . . 0.0 110.363 177.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.508 ' CZ2' ' HA ' ' A' ' 16' ' ' PRO . 71.7 t90 -110.25 135.78 50.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.318 -0.441 . . . . 0.0 111.288 -174.102 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -116.38 133.6 22.95 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.586 -0.733 . . . . 0.0 109.691 173.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.508 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 81.0 Cg_exo -43.7 -39.86 10.51 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 124.76 3.64 . . . . 0.0 115.066 -175.162 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -105.61 -28.98 10.43 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -176.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -97.12 -16.29 20.54 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -171.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 86.82 -162.41 34.18 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.59 177.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -78.78 151.06 32.2 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.436 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 31.2 t70 -86.2 114.21 22.84 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 171.233 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.641 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 17.0 m -78.05 -2.92 5.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.63 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.966 -173.347 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -87.61 -47.93 8.3 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.138 175.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.406 HD22 ' HA ' ' A' ' 24' ' ' ASN . 9.0 m120 -99.1 45.96 0.99 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.08 0.467 . . . . 0.0 110.731 176.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.641 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 13.2 mt -81.59 122.33 27.45 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.564 175.726 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -53.04 129.58 49.0 Favored Pre-proline 0 C--N 1.328 -0.328 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 174.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -49.73 -34.23 34.86 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 124.092 3.195 . . . . 0.0 114.051 -174.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.486 ' CG ' ' HE ' ' A' ' 66' ' ' ARG . 1.0 OUTLIER -75.23 -44.82 44.06 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 179.372 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.494 HD21 HD22 ' A' ' 62' ' ' LEU . 94.9 mt -58.45 -46.51 86.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.955 0.407 . . . . 0.0 109.983 175.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.8 ttp180 -60.38 -41.14 93.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.592 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.6 t -57.65 -49.39 76.62 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.208 0.528 . . . . 0.0 109.917 176.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.576 HD13 HG23 ' B' ' 79' ' ' VAL . 11.6 tp -62.48 -59.75 4.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.37 -0.832 . . . . 0.0 112.174 -177.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.46 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 9.5 m-30 -60.54 -33.75 73.12 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.593 -170.455 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.1 t -66.43 -36.47 82.87 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.721 177.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -68.98 -34.09 74.75 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.131 0.491 . . . . 0.0 110.474 176.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.01 -15.04 60.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.797 -175.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.02 -2.66 59.96 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.186 178.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.656 HD13 ' CD1' ' A' ' 52' ' ' ILE . 5.3 mt -74.85 112.06 11.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 177.376 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.4 t -90.16 174.82 7.41 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.583 -177.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.482 ' HA ' HG11 ' A' ' 22' ' ' VAL . 1.7 mp0 -52.0 -48.17 64.58 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.936 0.398 . . . . 0.0 111.365 -176.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.89 -36.65 81.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.205 0.526 . . . . 0.0 111.038 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.801 ' HG3' HG21 ' A' ' 48' ' ' THR . 3.8 tp60 -77.41 -27.32 52.29 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.636 -176.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.0 mt -74.82 -14.21 60.66 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.402 174.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.8 p -107.84 11.86 27.75 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 121.858 0.837 . . . . 0.0 109.423 178.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.601 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 34.0 t70 -80.43 163.23 23.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.422 175.421 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.46 -69.78 0.51 Allowed 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 -175.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -73.53 -36.12 65.64 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.771 -176.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.801 HG21 ' HG3' ' A' ' 42' ' ' GLN . 20.9 m -54.51 -50.33 68.08 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 111.76 0.281 . . . . 0.0 111.76 176.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 92.7 p -70.3 -39.71 74.67 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 120.873 -0.331 . . . . 0.0 111.557 -173.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -58.65 -43.42 89.81 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.956 -176.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.655 HD12 HG13 ' B' ' 92' ' ' ILE . 45.1 mt -66.45 -34.45 77.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.403 -178.383 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.656 ' CD1' HD13 ' A' ' 38' ' ' ILE . 34.2 mt -62.89 -45.22 99.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.144 176.147 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -63.43 -43.62 96.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.227 0.537 . . . . 0.0 109.918 178.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.36 -43.51 92.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.79 174.006 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.713 ' HE1' ' HG3' ' B' ' 82' ' ' ARG . 41.5 t80 -56.19 -46.84 79.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.01 176.161 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.696 HG21 HD23 ' A' ' 62' ' ' LEU . 96.5 mt -61.07 -43.83 97.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.068 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -64.64 -37.7 88.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.135 0.493 . . . . 0.0 110.131 176.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -62.88 -30.0 71.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.554 -178.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.522 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 62.3 mm-40 -86.14 -15.23 41.71 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.933 0.396 . . . . 0.0 111.36 -178.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.38 10.31 8.82 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.347 -0.93 . . . . 0.0 112.625 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.88 174.19 22.12 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.7 176.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.696 HD23 HG21 ' A' ' 56' ' ' ILE . 65.0 mt -52.54 -53.1 50.72 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.689 0.756 . . . . 0.0 111.607 -176.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -70.16 -22.41 62.98 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.871 -1.059 . . . . 0.0 112.042 -170.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.7 -37.71 48.99 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.181 0.515 . . . . 0.0 109.85 174.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.764 HG13 HG11 ' B' ' 79' ' ' VAL . 54.0 t -61.47 -36.6 74.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.229 176.498 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 73.3 mtp180 -59.14 -37.85 78.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.491 176.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -68.25 -41.46 81.1 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.03 -178.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.626 ' HG3' ' HA ' ' A' ' 65' ' ' VAL . 1.9 mm-40 -49.93 -35.74 25.15 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.872 0.732 . . . . 0.0 111.128 179.351 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.404 ' HE3' ' O ' ' A' ' 28' ' ' ASP . 39.5 mtt -56.93 -38.65 73.19 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.885 -176.459 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.32 -0.694 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.041 -177.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.764 HG11 HG13 ' A' ' 65' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.315 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.419 ' O ' ' HG3' ' B' ' 84' ' ' MET . . . -53.91 -43.73 69.97 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 -170.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -69.37 -34.21 74.22 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.616 0.722 . . . . 0.0 109.638 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . 0.713 ' HG3' ' HE1' ' A' ' 55' ' ' PHE . 17.7 tpt180 -73.48 -16.8 61.29 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.503 -1.226 . . . . 0.0 110.142 -178.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 0.513 HD13 ' CD2' ' A' ' 55' ' ' PHE . 23.3 tp -94.12 -36.34 12.12 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.926 -176.059 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' MET . . . . . 0.419 ' HG3' ' O ' ' B' ' 80' ' ' ALA . 66.0 mtt -53.93 -48.83 69.81 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.149 0.499 . . . . 0.0 110.038 175.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . 0.455 ' O ' ' HG2' ' B' ' 89' ' ' GLU . 63.9 mt-30 -64.83 -34.86 79.37 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.658 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . 0.515 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 19.5 t60 -63.92 -27.09 68.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.08 -175.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . 0.605 HD12 HG21 ' B' ' 92' ' ' ILE . 2.8 mm? -87.87 -52.75 5.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.009 0.433 . . . . 0.0 110.855 176.116 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -50.5 -40.6 51.8 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 -172.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' B' ' 85' ' ' GLN . 17.6 mm-40 -62.08 -20.69 64.27 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -175.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -102.74 5.73 39.04 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -174.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 76.95 20.34 76.15 Favored Glycine 0 C--N 1.328 0.124 0 C-N-CA 120.145 -1.026 . . . . 0.0 112.389 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . 0.655 HG13 HD12 ' A' ' 51' ' ' LEU . 41.9 mm -58.62 148.54 6.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 C-N-CA 123.442 0.697 . . . . 0.0 110.897 178.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 23.8 mp0 . . . . . 0 C--N 1.325 -0.472 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.329 -177.834 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.62 HG13 HD21 ' A' ' 62' ' ' LEU . 26.3 t . . . . . 0 CA--C 1.541 0.626 0 CA-C-O 120.971 0.415 . . . . 0.0 112.097 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 72.55 27.39 69.55 Favored Glycine 0 N--CA 1.45 -0.398 0 N-CA-C 110.389 -1.084 . . . . 0.0 110.389 -173.15 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.718 ' CZ2' ' HA ' ' A' ' 16' ' ' PRO . 67.2 t90 -126.4 141.0 52.05 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.151 -0.525 . . . . 0.0 111.218 -173.25 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.542 ' HB2' ' HB2' ' A' ' 18' ' ' ASN . 2.2 m-20 -124.32 129.24 24.77 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.417 173.179 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.718 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 95.9 Cg_exo -43.86 -45.85 11.07 Favored 'Trans proline' 0 N--CA 1.472 0.254 0 C-N-CA 123.643 2.895 . . . . 0.0 114.624 -171.52 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -103.16 -4.57 24.24 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 111.887 0.329 . . . . 0.0 111.887 -174.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.542 ' HB2' ' HB2' ' A' ' 15' ' ' ASP . 17.7 m120 -108.11 -35.9 6.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.585 0.231 . . . . 0.0 111.317 -176.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.527 ' HA2' ' OG ' ' A' ' 49' ' ' SER . . . 108.54 -163.57 12.74 Favored Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 121.029 -0.605 . . . . 0.0 112.576 179.093 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.411 ' CD1' ' HB2' ' A' ' 14' ' ' TRP . 89.3 m-85 -88.44 132.78 34.33 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 177.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -77.59 80.49 4.07 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 176.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.615 ' HA ' ' HB3' ' A' ' 25' ' ' LEU . 3.6 p -50.69 -26.03 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 C-N-CA 123.682 0.793 . . . . 0.0 112.242 -177.059 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -69.39 -40.16 77.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.861 0.362 . . . . 0.0 110.545 178.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -117.12 43.45 2.3 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.721 0.772 . . . . 0.0 109.035 178.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.615 ' HB3' ' HA ' ' A' ' 22' ' ' VAL . 0.1 OUTLIER -99.94 133.72 43.9 Favored 'General case' 0 N--CA 1.438 -1.025 0 CA-C-N 114.517 -1.219 . . . . 0.0 109.912 -172.576 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -54.43 132.1 62.68 Favored Pre-proline 0 N--CA 1.466 0.327 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.923 -173.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -53.29 -38.89 82.46 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 124.282 3.321 . . . . 0.0 113.957 -177.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -71.64 -37.87 70.79 Favored 'General case' 0 CA--C 1.519 -0.242 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.281 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.573 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 98.3 mt -64.69 -42.97 94.93 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 175.178 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -56.2 -41.41 75.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.929 176.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.5 t -58.66 -49.35 77.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.505 175.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.834 HD13 HG13 ' B' ' 79' ' ' VAL . 57.2 tp -64.39 -55.17 22.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.396 -0.82 . . . . 0.0 112.11 -175.348 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.582 ' HB3' ' HB ' ' A' ' 38' ' ' ILE . 12.4 m-30 -61.69 -37.17 83.12 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.226 -171.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.3 t -63.24 -26.78 68.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 177.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 35.5 mtt180 -80.6 -35.57 33.92 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.773 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.4 -28.56 62.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.395 -177.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.64 -3.56 23.16 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.427 -0.892 . . . . 0.0 111.79 -176.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.674 HD13 HD13 ' A' ' 52' ' ' ILE . 43.0 mt -63.45 115.21 2.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 C-N-CA 122.688 0.395 . . . . 0.0 111.068 178.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 97.5 p -88.85 179.57 6.18 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.859 179.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -57.73 -40.93 80.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.216 0.531 . . . . 0.0 109.652 172.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.06 -32.03 73.26 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.867 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.611 ' HB3' HG21 ' A' ' 48' ' ' THR . 32.1 mt-30 -77.0 -38.66 52.68 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.07 179.019 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.525 HD21 ' CD2' ' A' ' 33' ' ' PHE . 28.4 mt -65.31 -24.75 67.36 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.734 176.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.7 p -106.72 15.29 25.82 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.447 0.641 . . . . 0.0 110.271 178.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.481 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 30.8 t70 -90.37 135.15 33.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.002 176.223 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.95 -55.9 22.75 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-O 121.572 0.701 . . . . 0.0 111.044 179.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -70.36 -54.64 11.66 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 114.748 -1.115 . . . . 0.0 111.052 -170.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.627 ' O ' HG13 ' A' ' 52' ' ' ILE . 17.5 m -51.44 -63.74 1.04 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.469 -0.787 . . . . 0.0 112.289 -179.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.555 ' HA ' HD12 ' A' ' 52' ' ' ILE . 97.6 p -59.91 -43.54 94.79 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -172.652 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.535 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 81.9 tttt -61.28 -38.64 87.52 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.715 -176.332 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.765 HD12 HD11 ' B' ' 92' ' ' ILE . 78.2 mt -81.36 -27.76 34.74 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.046 179.28 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.674 HD13 HD13 ' A' ' 38' ' ' ILE . 99.0 mt -58.64 -48.16 86.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 120.643 0.259 . . . . 0.0 110.381 171.006 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.43 ' CE1' HG21 ' A' ' 12' ' ' VAL . 62.5 t80 -61.62 -46.0 91.67 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.818 0.342 . . . . 0.0 110.567 178.521 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -54.55 -35.68 63.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.254 176.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.635 ' HB2' ' CD2' ' B' ' 86' ' ' HIS . 38.7 t80 -65.35 -49.8 68.01 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.01 174.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.516 HG23 HG21 ' A' ' 65' ' ' VAL . 98.2 mt -59.53 -37.66 71.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.49 -177.569 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -72.91 -20.25 61.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.256 0.55 . . . . 0.0 109.953 178.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.558 ' HB3' ' O ' ' A' ' 55' ' ' PHE . 27.7 t70 -70.82 -34.58 71.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.107 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -76.37 -20.25 57.36 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.819 0.342 . . . . 0.0 110.628 176.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.46 21.9 3.88 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.458 -0.877 . . . . 0.0 112.944 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 110.91 -177.74 19.38 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.474 -0.87 . . . . 0.0 113.058 173.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.62 HD21 HG13 ' A' ' 12' ' ' VAL . 96.5 mt -59.29 -52.02 67.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.766 0.317 . . . . 0.0 111.732 -176.159 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 10.9 mm-40 -62.43 -31.27 71.94 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.453 -175.658 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.78 -39.5 87.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.934 0.397 . . . . 0.0 110.897 -179.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.516 HG21 HG23 ' A' ' 56' ' ' ILE . 98.7 t -68.4 -30.36 47.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.492 0.663 . . . . 0.0 110.305 178.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.48 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 73.5 mtp180 -70.14 -26.81 64.12 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.909 177.313 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' A' ' 63' ' ' GLU . 51.5 mt-30 -72.42 -35.64 68.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.428 174.596 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.597 ' HB3' ' HB ' ' B' ' 79' ' ' VAL . 46.4 mm-40 -58.53 -25.15 62.14 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.681 178.057 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.518 ' C ' ' HD2' ' A' ' 70' ' ' ARG . 21.0 mmt -61.1 -19.17 61.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.855 177.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.518 ' HD2' ' C ' ' A' ' 69' ' ' MET . 3.4 mpt_? . . . . . 0 C--N 1.33 -0.265 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 177.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.834 HG13 HD13 ' A' ' 32' ' ' LEU . 2.0 p . . . . . 0 CA--C 1.543 0.704 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.495 ' O ' ' HG3' ' B' ' 84' ' ' MET . . . -52.85 -38.47 61.54 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -176.474 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' GLN . . . . . 0.479 ' HG3' ' N ' ' B' ' 82' ' ' ARG . 3.0 pt20 -64.27 -37.91 89.17 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.346 0.594 . . . . 0.0 110.629 -178.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . 0.622 ' HG2' ' HE1' ' A' ' 55' ' ' PHE . 38.7 ttm180 -72.93 -16.15 61.55 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.896 -176.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 0.655 HD21 HD11 ' A' ' 38' ' ' ILE . 29.5 tp -90.18 -37.37 14.21 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.069 -177.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 84' ' ' MET . . . . . 0.495 ' HG3' ' O ' ' B' ' 80' ' ' ALA . 55.7 mtt -54.72 -41.03 69.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.318 178.088 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . 0.613 ' O ' ' HG2' ' B' ' 89' ' ' GLU . 2.5 tt0 -73.68 -40.77 63.42 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.855 -178.213 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . 0.635 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 48.9 t60 -57.05 -34.6 68.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.452 -175.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . 0.537 ' HB3' ' CG1' ' B' ' 92' ' ' ILE . 27.1 mt -85.74 -42.38 14.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.027 0.442 . . . . 0.0 110.742 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.92 -33.69 64.91 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.269 -0.878 . . . . 0.0 112.095 -178.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . 0.613 ' HG2' ' O ' ' B' ' 85' ' ' GLN . 18.8 mm-40 -58.78 -31.45 68.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.904 0.383 . . . . 0.0 111.697 179.346 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -93.5 -58.42 2.29 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.388 -175.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 147.45 29.1 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.226 -0.988 . . . . 0.0 113.277 179.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . 0.765 HD11 HD12 ' A' ' 51' ' ' LEU . 1.7 mp -55.19 139.83 13.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.956 0.408 . . . . 0.0 111.403 178.032 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 . . . . . 0 C--N 1.326 -0.427 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.668 -176.583 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.516 HG22 HD11 ' A' ' 62' ' ' LEU . 61.6 t . . . . . 0 CA--C 1.533 0.306 0 N-CA-C 111.637 0.236 . . . . 0.0 111.637 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -168.67 26.44 0.12 Allowed Glycine 0 N--CA 1.441 -1.013 0 N-CA-C 108.866 -1.693 . . . . 0.0 108.866 174.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.45 ' CZ2' ' HA ' ' A' ' 16' ' ' PRO . 64.5 t90 -117.18 132.39 56.66 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 114.661 -0.769 . . . . 0.0 111.472 -170.17 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -111.69 132.82 21.72 Favored Pre-proline 0 C--N 1.32 -0.676 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 171.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.45 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 11.7 Cg_endo -54.21 -31.26 65.35 Favored 'Trans proline' 0 CA--C 1.528 0.188 0 C-N-CA 123.527 2.818 . . . . 0.0 114.02 -173.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -106.04 -34.4 7.58 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.998 0.369 . . . . 0.0 111.998 -177.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -94.92 -9.52 33.9 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -173.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.68 -163.19 38.35 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 121.018 -0.61 . . . . 0.0 112.375 178.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.53 ' HE2' ' HB ' ' A' ' 52' ' ' ILE . 67.5 m-85 -73.33 142.54 47.09 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 175.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.482 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 12.8 t70 -83.93 114.29 21.58 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 174.242 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.634 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 24.4 m -71.48 -21.63 21.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 -169.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -96.19 -15.84 21.82 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.465 178.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.429 ' HB2' ' HB3' ' A' ' 21' ' ' ASP . 9.6 m120 -102.04 14.01 33.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.927 0.394 . . . . 0.0 110.243 172.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.634 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 17.9 mt -65.82 147.41 53.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.179 178.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.478 ' HB3' HD12 ' A' ' 29' ' ' LEU . 20.9 t70 -83.69 135.48 43.12 Favored Pre-proline 0 C--N 1.32 -0.674 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.525 178.089 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -42.54 -52.94 4.08 Favored 'Trans proline' 0 C--O 1.237 0.463 0 C-N-CA 123.335 2.69 . . . . 0.0 113.671 -177.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -69.67 -40.14 76.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.115 -176.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.504 HD21 HD22 ' A' ' 62' ' ' LEU . 89.8 mt -57.59 -47.23 82.68 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-O 121.114 0.483 . . . . 0.0 109.926 174.362 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -58.85 -44.39 90.97 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.334 -178.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.403 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 8.2 t -58.78 -49.51 77.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.495 0.664 . . . . 0.0 110.088 176.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.818 HD21 HG13 ' B' ' 79' ' ' VAL . 0.6 OUTLIER -61.58 -56.5 19.21 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.655 -1.157 . . . . 0.0 111.49 -174.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.479 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 14.4 m-30 -55.56 -39.78 71.08 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.763 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.1 t -62.2 -35.8 79.97 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.972 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.403 ' HG3' ' O ' ' A' ' 31' ' ' SER . 99.8 mtt180 -69.65 -40.74 76.29 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 121.016 0.436 . . . . 0.0 110.621 178.269 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.538 ' O ' ' HG2' ' B' ' 84' ' ' MET . . . -64.36 -29.64 70.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.261 -177.107 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.44 -12.54 21.26 Favored Glycine 0 N--CA 1.45 -0.429 0 N-CA-C 111.426 -0.67 . . . . 0.0 111.426 -177.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.59 HD13 ' CD1' ' A' ' 52' ' ' ILE . 43.9 mt -62.72 105.21 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-O 121.118 0.485 . . . . 0.0 110.342 178.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.6 m -81.1 169.34 17.56 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.403 -177.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.507 ' HG3' HG11 ' A' ' 22' ' ' VAL . 43.1 tt0 -50.77 -45.13 58.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.569 -178.396 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.4 -53.96 51.17 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.957 177.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.719 ' HB3' HG21 ' A' ' 48' ' ' THR . 54.5 mt-30 -53.38 -36.04 60.97 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.031 179.141 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.452 HD13 HD11 ' A' ' 25' ' ' LEU . 64.1 mt -72.06 -10.92 60.45 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.322 179.591 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.8 p -113.28 16.34 19.07 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.476 0.655 . . . . 0.0 109.824 174.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -97.45 147.1 24.57 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.168 174.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.77 -68.55 0.35 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -171.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.544 ' H ' ' CD ' ' A' ' 47' ' ' GLU . 1.3 pm0 -64.34 -39.77 94.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.114 -173.181 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.719 HG21 ' HB3' ' A' ' 42' ' ' GLN . 3.6 m -53.54 -58.04 8.57 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.158 176.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 27.9 m -63.47 -36.34 83.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.723 -176.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 47.4 tttp -61.55 -43.58 98.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.867 0.365 . . . . 0.0 110.261 -179.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.682 HD22 HG13 ' B' ' 92' ' ' ILE . 5.2 mp -65.45 -42.42 92.38 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.284 177.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.619 HG13 ' O ' ' A' ' 48' ' ' THR . 57.9 mt -57.4 -48.21 83.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.5 177.421 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -62.25 -44.68 96.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.059 0.457 . . . . 0.0 110.236 179.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.28 -47.46 78.55 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.5 174.366 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.601 ' HE1' ' HG3' ' B' ' 82' ' ' ARG . 56.8 t80 -54.23 -51.03 65.75 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.994 176.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.677 HG21 HD23 ' A' ' 62' ' ' LEU . 94.6 mt -59.46 -43.21 90.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.103 -177.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -68.9 -32.86 72.8 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.994 0.426 . . . . 0.0 110.259 179.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -66.62 -34.12 77.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.678 178.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 84.7 mm-40 -80.94 -10.94 59.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.951 179.224 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.67 -14.79 10.62 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.653 -0.784 . . . . 0.0 113.534 176.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.491 ' O ' HG13 ' A' ' 65' ' ' VAL . . . 132.8 -172.19 21.41 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.321 -0.942 . . . . 0.0 112.762 178.573 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.677 HD23 HG21 ' A' ' 56' ' ' ILE . 70.1 mt -66.68 -58.81 4.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.897 0.379 . . . . 0.0 111.175 -174.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.618 ' HA ' ' HD2' ' A' ' 66' ' ' ARG . 2.3 mp0 -62.55 -26.31 68.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.404 -178.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.521 ' O ' ' HG2' ' A' ' 68' ' ' GLU . . . -64.15 -52.66 57.97 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.198 177.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.574 ' HA ' ' CG ' ' A' ' 68' ' ' GLU . 2.1 m -70.24 -21.53 23.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.222 -179.086 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.618 ' HD2' ' HA ' ' A' ' 63' ' ' GLU . 92.6 mtt180 -60.69 -37.14 80.67 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-O 121.125 0.488 . . . . 0.0 110.099 171.352 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -75.39 -38.2 60.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.462 -179.08 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.574 ' CG ' ' HA ' ' A' ' 65' ' ' VAL . 4.4 mm-40 -54.98 -31.88 61.18 Favored 'General case' 0 C--N 1.331 -0.215 0 O-C-N 123.491 0.494 . . . . 0.0 111.235 179.722 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 37.0 mtt -50.08 -33.81 19.7 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.47 176.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 . . . . . 0 N--CA 1.448 -0.556 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.339 176.3 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.818 HG13 HD21 ' A' ' 32' ' ' LEU . 3.4 p . . . . . 0 CA--C 1.542 0.657 0 CA-C-O 121.239 0.542 . . . . 0.0 111.26 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.453 ' O ' ' HG3' ' B' ' 84' ' ' MET . . . -53.79 -51.87 62.11 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 112.802 0.668 . . . . 0.0 112.802 179.1 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -68.02 -37.24 81.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.917 0.389 . . . . 0.0 111.172 -175.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . 0.601 ' HG3' ' HE1' ' A' ' 55' ' ' PHE . 21.5 tpp180 -55.55 -38.2 69.0 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.563 0.697 . . . . 0.0 109.865 174.313 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 0.531 HD13 ' CD2' ' A' ' 55' ' ' PHE . 45.2 tp -75.95 -40.19 54.54 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.166 -0.924 . . . . 0.0 111.506 -178.589 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 84' ' ' MET . . . . . 0.538 ' HG2' ' O ' ' A' ' 36' ' ' ALA . 66.2 mtt -48.97 -54.03 17.31 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.32 0.581 . . . . 0.0 111.256 -179.193 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -67.53 -29.6 69.04 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.65 -175.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . 0.482 ' HA ' ' OE1' ' B' ' 89' ' ' GLU . 61.9 t60 -67.99 -20.76 65.06 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -176.029 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . 0.714 HD12 HG21 ' B' ' 92' ' ' ILE . 1.9 mm? -85.1 -43.26 14.05 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.375 -0.53 . . . . 0.0 110.365 174.49 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.23 -20.38 66.4 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.15 -176.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . 0.641 ' HG3' ' CD2' ' B' ' 90' ' ' HIS . 9.7 pt-20 -78.38 -10.71 59.8 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -175.544 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 90' ' ' HIS . . . . . 0.641 ' CD2' ' HG3' ' B' ' 89' ' ' GLU . 95.7 m-70 -124.62 16.22 8.81 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 113.113 0.783 . . . . 0.0 113.113 -175.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 63.38 44.57 96.62 Favored Glycine 0 N--CA 1.458 0.115 0 C-N-CA 120.346 -0.93 . . . . 0.0 112.076 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . 0.714 HG21 HD12 ' B' ' 87' ' ' LEU . 37.8 mm -82.59 144.93 9.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 C-N-CA 123.136 0.575 . . . . 0.0 110.098 -178.529 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 C--N 1.331 -0.22 0 CA-C-O 121.055 0.455 . . . . 0.0 110.829 -176.511 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.634 HG22 HD21 ' A' ' 62' ' ' LEU . 10.5 t . . . . . 0 N--CA 1.469 0.523 0 CA-C-O 121.788 0.804 . . . . 0.0 112.686 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 161.97 37.17 0.02 OUTLIER Glycine 0 N--CA 1.442 -0.904 0 N-CA-C 107.762 -2.135 . . . . 0.0 107.762 -173.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.561 ' CZ2' ' HA ' ' A' ' 16' ' ' PRO . 57.3 t90 -126.65 143.25 51.29 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 113.93 -1.135 . . . . 0.0 110.582 -167.11 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.589 ' HB3' ' HB2' ' A' ' 18' ' ' ASN . 9.5 t70 -125.18 134.12 25.46 Favored Pre-proline 0 C--N 1.32 -0.683 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 174.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.561 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 3.3 Cg_endo -45.48 -49.23 10.76 Favored 'Trans proline' 0 CA--C 1.53 0.303 0 C-N-CA 124.09 3.193 . . . . 0.0 114.503 -171.21 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -103.07 -1.07 29.79 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 120.743 0.306 . . . . 0.0 111.711 -173.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.589 ' HB2' ' HB3' ' A' ' 15' ' ' ASP . 10.2 m120 -112.41 -25.59 9.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.848 0.356 . . . . 0.0 111.734 -179.179 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.677 ' HA3' ' HA ' ' A' ' 44' ' ' THR . . . 96.7 -167.62 24.51 Favored Glycine 0 N--CA 1.442 -0.917 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.403 178.131 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.435 ' CD1' ' HB2' ' A' ' 14' ' ' TRP . 73.9 m-85 -76.42 140.53 41.35 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 178.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -71.44 97.68 1.68 Allowed 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 173.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.638 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 16.3 m -66.13 -6.71 4.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.754 -178.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -98.89 -9.86 23.64 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.21 175.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -117.88 13.97 14.14 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.238 179.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.638 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 19.4 mt -65.69 132.13 48.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.457 -175.677 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.411 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 15.6 t70 -72.91 138.25 79.63 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.041 -0.982 . . . . 0.0 109.624 175.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 26' ' ' ASP . 73.7 Cg_exo -49.74 -23.75 8.81 Favored 'Trans proline' 0 CA--C 1.531 0.342 0 C-N-CA 123.924 3.082 . . . . 0.0 114.191 -178.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -85.12 -44.65 12.79 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 179.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.2 mp -55.57 -46.68 77.18 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.103 0.478 . . . . 0.0 110.675 169.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -56.75 -33.84 66.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.184 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.402 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 23.0 t -70.44 -55.77 8.23 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.324 176.61 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.625 ' CD1' HG13 ' B' ' 79' ' ' VAL . 55.0 tp -59.91 -54.12 49.93 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.619 -0.718 . . . . 0.0 112.537 -171.043 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.506 ' HB3' ' HB ' ' A' ' 38' ' ' ILE . 14.6 m-30 -63.62 -36.2 83.03 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.751 -170.436 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 25.9 m -64.39 -36.78 85.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.882 176.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 31' ' ' SER . 78.4 mtp180 -76.27 -26.32 55.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.128 0.49 . . . . 0.0 110.076 178.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.32 -4.31 58.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.164 -0.926 . . . . 0.0 111.437 -177.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.93 -2.28 87.07 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.042 178.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.666 HD11 HD13 ' B' ' 83' ' ' LEU . 37.1 mt -70.33 105.2 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 CA-C-O 120.942 0.401 . . . . 0.0 110.185 177.099 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.5 t -81.19 171.24 15.12 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.78 177.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.497 ' HG3' HG11 ' A' ' 22' ' ' VAL . 30.2 tt0 -53.63 -38.6 64.22 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.951 0.405 . . . . 0.0 111.055 -177.179 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.71 -49.56 77.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.04 178.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.63 ' HB3' HG21 ' A' ' 48' ' ' THR . 36.7 mt-30 -59.28 -36.68 76.01 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.639 0.257 . . . . 0.0 111.612 -179.061 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.463 ' HG ' HG22 ' A' ' 38' ' ' ILE . 55.6 mt -66.36 -21.98 66.25 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 121.036 -0.265 . . . . 0.0 111.167 178.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.677 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 22.8 p -112.63 20.88 16.16 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.294 0.568 . . . . 0.0 110.415 179.526 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.656 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 27.5 t70 -98.54 134.54 41.35 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.209 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.9 -62.45 1.64 Allowed 'General case' 0 C--O 1.236 0.388 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -170.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -70.39 -47.68 59.73 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 121.127 -0.229 . . . . 0.0 111.154 -178.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.656 ' HB ' ' HB3' ' A' ' 45' ' ' ASP . 19.2 m -54.68 -53.27 57.05 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.2 t -63.98 -48.38 76.66 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.738 -172.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -65.85 -29.1 69.5 Favored 'General case' 0 C--N 1.334 -0.093 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.76 -177.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.69 HD12 HD11 ' B' ' 92' ' ' ILE . 68.1 mt -82.48 -24.29 34.28 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 121.031 -0.267 . . . . 0.0 111.484 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.591 HD13 HD13 ' A' ' 38' ' ' ILE . 75.1 mt -64.02 -45.83 95.6 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.228 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 165.028 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -59.15 -48.01 83.18 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.366 176.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.568 ' HB3' ' HA ' ' A' ' 51' ' ' LEU . 3.4 t70 -55.41 -41.67 73.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.698 174.528 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.553 ' HB3' ' O ' ' A' ' 52' ' ' ILE . 70.0 t80 -56.96 -51.94 67.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.658 176.24 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 77.6 mt -64.71 -41.28 91.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.026 -177.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -65.12 -38.7 91.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.316 177.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -60.16 -34.42 73.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.43 -179.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 25.2 mm-40 -79.3 -10.7 59.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.134 -177.135 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 112.64 19.84 6.79 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.469 -179.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 103.84 178.62 25.64 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.547 176.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.634 HD21 HG22 ' A' ' 12' ' ' VAL . 9.5 mp -59.82 -38.77 82.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.994 0.426 . . . . 0.0 111.216 -178.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.567 ' HA ' ' HD3' ' A' ' 66' ' ' ARG . 17.8 mm-40 -60.03 -28.2 67.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.004 -176.19 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.685 ' O ' ' HG2' ' A' ' 68' ' ' GLU . . . -71.88 -53.22 13.86 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.212 -179.541 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.532 ' HA ' ' CG ' ' A' ' 68' ' ' GLU . 53.5 t -57.44 -35.72 50.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.159 -179.518 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.567 ' HD3' ' HA ' ' A' ' 63' ' ' GLU . 45.0 mtp180 -58.82 -28.91 66.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.528 177.059 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.487 ' O ' ' HG2' ' A' ' 70' ' ' ARG . 51.3 mt-30 -93.38 -25.94 17.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.648 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.685 ' HG2' ' O ' ' A' ' 64' ' ' ALA . 3.6 mm-40 -63.07 -28.65 70.23 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.055 0.455 . . . . 0.0 110.344 176.502 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 13.5 mmt -52.6 -25.27 10.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.522 173.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.487 ' HG2' ' O ' ' A' ' 67' ' ' GLN . 6.3 ptp180 . . . . . 0 C--N 1.326 -0.422 0 CA-C-O 121.215 0.531 . . . . 0.0 109.912 177.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.625 HG13 ' CD1' ' A' ' 32' ' ' LEU . 8.1 p . . . . . 0 CA--C 1.542 0.667 0 CA-C-O 121.244 0.545 . . . . 0.0 111.117 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.48 -50.49 51.98 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.929 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.65 -24.86 67.13 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 122.075 0.941 . . . . 0.0 109.39 177.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . 0.402 ' HB3' ' O ' ' B' ' 79' ' ' VAL . 56.6 ttt180 -72.76 -16.3 61.65 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 113.666 -1.606 . . . . 0.0 110.4 -177.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 0.666 HD13 HD11 ' A' ' 38' ' ' ILE . 1.1 mt -87.67 -37.66 16.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.707 179.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 54.7 mtt -54.77 -42.0 71.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.19 177.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -66.0 -43.11 88.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.069 178.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . 0.48 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 48.7 t60 -71.75 -20.5 61.87 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 111.938 0.348 . . . . 0.0 111.938 -173.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . 0.445 ' HG ' HG23 ' A' ' 48' ' ' THR . 0.0 OUTLIER -87.24 -43.58 12.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.07 0.462 . . . . 0.0 110.311 173.828 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.95 -32.99 71.33 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.549 -178.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . 0.573 ' HG3' ' CD2' ' B' ' 90' ' ' HIS . 8.7 pt-20 -72.11 -6.42 42.43 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -177.198 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 90' ' ' HIS . . . . . 0.573 ' CD2' ' HG3' ' B' ' 89' ' ' GLU . 96.1 m-70 -129.04 13.5 6.24 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.457 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 73.37 30.22 62.86 Favored Glycine 0 CA--C 1.521 0.423 0 C-N-CA 120.695 -0.764 . . . . 0.0 113.879 174.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . 0.69 HD11 HD12 ' A' ' 51' ' ' LEU . 1.6 mp -60.73 153.08 5.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 C-N-CA 122.732 0.413 . . . . 0.0 110.772 172.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.182 175.792 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.504 HG21 HD11 ' A' ' 29' ' ' LEU . 7.2 p . . . . . 0 N--CA 1.48 1.063 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.429 ' H ' HG13 ' A' ' 12' ' ' VAL . . . -177.57 33.89 0.08 OUTLIER Glycine 0 N--CA 1.445 -0.741 0 N-CA-C 110.302 -1.119 . . . . 0.0 110.302 -179.377 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 84.2 t90 -115.78 132.77 56.54 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.3 -0.45 . . . . 0.0 111.071 -174.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -121.87 144.61 41.37 Favored Pre-proline 0 C--N 1.323 -0.575 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 172.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -52.31 -37.07 70.59 Favored 'Trans proline' 0 N--CA 1.477 0.533 0 C-N-CA 123.955 3.104 . . . . 0.0 115.676 -167.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -98.42 -44.29 6.57 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -174.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.467 ' O ' ' HA ' ' A' ' 44' ' ' THR . 3.3 p-10 -93.05 -0.58 57.09 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.742 -174.543 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 75.51 -137.1 21.26 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.722 -0.752 . . . . 0.0 113.05 175.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.52 ' HE2' ' HB ' ' A' ' 52' ' ' ILE . 65.4 m-85 -85.02 135.37 34.04 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.034 0.445 . . . . 0.0 110.622 -178.242 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.436 ' OD1' ' HB3' ' A' ' 23' ' ' ASN . 12.0 t70 -73.27 97.63 2.5 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 175.178 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.633 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 7.4 p -60.19 -25.34 33.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.644 -175.689 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.436 ' HB3' ' OD1' ' A' ' 21' ' ' ASP . 7.1 t30 -69.29 -41.28 76.99 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.015 0.436 . . . . 0.0 110.425 178.268 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.417 ' ND2' HD22 ' A' ' 23' ' ' ASN . 27.8 m-80 -98.7 18.5 16.73 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.767 -176.535 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.633 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 23.9 mt -65.8 129.99 41.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.265 0.555 . . . . 0.0 111.199 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -67.64 136.57 92.81 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.325 173.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -48.95 -30.89 18.8 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 123.974 3.116 . . . . 0.0 113.824 -179.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -77.16 -41.32 42.15 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 110.46 -0.2 . . . . 0.0 110.46 178.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.504 HD11 HG21 ' A' ' 12' ' ' VAL . 98.1 mt -64.36 -45.58 87.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.982 0.42 . . . . 0.0 110.151 175.651 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.9 tpt85 -54.56 -42.55 71.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.394 178.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.9 t -61.98 -53.64 52.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.09 177.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.502 ' HB2' ' HE2' ' A' ' 69' ' ' MET . 20.8 tp -57.42 -57.47 12.53 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 116.004 -0.544 . . . . 0.0 112.299 -175.011 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.434 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 18.4 m-30 -58.46 -41.9 86.23 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.716 -169.329 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.9 m -67.94 -29.6 68.7 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.458 178.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.446 HH11 ' HD2' ' A' ' 35' ' ' ARG . 14.9 mtp180 -71.38 -28.03 63.75 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.127 0.489 . . . . 0.0 110.485 174.233 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.47 1.5 54.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.615 -176.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.25 -20.85 45.62 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 121.243 -0.504 . . . . 0.0 111.872 -179.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.69 HD13 HD13 ' A' ' 52' ' ' ILE . 14.7 mt -62.58 105.53 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.144 0.497 . . . . 0.0 110.556 -179.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.7 m -94.58 -174.9 3.45 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.937 -178.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -51.23 -50.38 59.26 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 122.727 0.411 . . . . 0.0 111.512 -177.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.11 -50.01 72.27 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.496 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.633 ' HB3' HG21 ' A' ' 48' ' ' THR . 42.2 mt-30 -61.4 -33.92 74.49 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -177.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.53 HD13 HD11 ' A' ' 25' ' ' LEU . 39.5 mt -74.11 -13.8 60.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.718 0.294 . . . . 0.0 111.355 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.467 ' HA ' ' O ' ' A' ' 18' ' ' ASN . 3.6 p -115.08 19.22 15.87 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.394 0.616 . . . . 0.0 110.344 176.587 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.01 143.66 32.28 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.439 176.142 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.79 -69.1 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -172.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -60.94 -45.65 93.86 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.408 -173.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.633 HG21 ' HB3' ' A' ' 42' ' ' GLN . 16.8 m -51.97 -59.9 3.81 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 178.286 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.9 m -62.79 -35.91 81.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.821 -174.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -61.01 -39.92 91.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.936 0.398 . . . . 0.0 110.48 -178.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.552 HD12 HD11 ' B' ' 92' ' ' ILE . 63.9 mt -73.97 -36.54 64.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.142 179.427 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.69 HD13 HD13 ' A' ' 38' ' ' ILE . 28.8 mt -61.16 -44.24 97.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.935 0.398 . . . . 0.0 110.473 176.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.441 ' CE1' HG12 ' A' ' 12' ' ' VAL . 17.6 t80 -65.93 -40.81 91.73 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.936 179.131 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -60.17 -40.69 90.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.34 173.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.68 ' CZ ' HG12 ' B' ' 79' ' ' VAL . 38.9 t80 -59.84 -49.61 77.03 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.164 177.55 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.463 HG12 HG21 ' A' ' 65' ' ' VAL . 96.5 mt -57.82 -45.35 87.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.658 179.383 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -65.4 -40.39 93.36 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.333 176.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -63.27 -31.66 72.87 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.776 -178.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -78.53 0.17 27.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.995 0.426 . . . . 0.0 111.451 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.43 -14.97 10.78 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.354 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 133.79 178.91 15.91 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.669 178.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.41 ' O ' ' HG3' ' A' ' 66' ' ' ARG . 22.7 tp -60.09 -31.08 69.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.659 0.266 . . . . 0.0 111.624 -176.178 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.487 ' O ' ' HG2' ' A' ' 67' ' ' GLN . 1.8 tt0 -70.86 -42.43 70.12 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.862 -178.381 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.479 ' O ' ' HG3' ' A' ' 68' ' ' GLU . . . -59.56 -41.56 90.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.419 -174.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.606 HG13 HG11 ' B' ' 79' ' ' VAL . 82.7 t -63.69 -39.22 84.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.559 -178.028 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 66' ' ' ARG . 30.4 mtp180 -66.19 -29.99 70.37 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.386 179.199 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.487 ' HG2' ' O ' ' A' ' 63' ' ' GLU . 15.4 mm-40 -74.8 -36.63 62.46 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.319 -179.119 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.479 ' HG3' ' O ' ' A' ' 64' ' ' ALA . 19.1 mt-10 -62.14 -23.04 66.33 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.802 -175.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.502 ' HE2' ' HB2' ' A' ' 32' ' ' LEU . 12.4 mmt -56.26 -36.69 68.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.443 0.64 . . . . 0.0 110.815 177.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.442 -0.835 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.334 179.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.68 HG12 ' CZ ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.466 0.335 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -54.83 -41.42 70.67 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 -170.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -69.7 -32.82 71.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.548 0.689 . . . . 0.0 109.75 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . 0.454 ' HG3' ' HE1' ' A' ' 55' ' ' PHE . 17.2 tpt180 -76.13 -15.2 60.12 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.632 -1.167 . . . . 0.0 109.947 -176.266 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 0.53 HD13 ' CD1' ' A' ' 38' ' ' ILE . 1.7 mt -84.12 -39.12 19.87 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.078 -179.597 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 63.8 mtt -58.65 -35.28 72.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.156 0.503 . . . . 0.0 109.797 178.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -73.55 -36.16 65.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.592 178.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . 0.45 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 27.3 t60 -71.69 -36.43 70.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.481 -171.34 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . 0.68 HD12 HG13 ' B' ' 92' ' ' ILE . 0.6 OUTLIER -77.42 -38.22 50.15 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.866 177.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.37 -24.16 66.28 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -172.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -83.98 4.11 31.26 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -174.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -125.62 -97.36 0.42 Allowed 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 119.964 -0.694 . . . . 0.0 112.107 -178.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -166.48 56.33 0.24 Allowed Glycine 0 N--CA 1.453 -0.187 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -177.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . 0.68 HG13 HD12 ' B' ' 87' ' ' LEU . 22.2 mm -96.58 147.74 5.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.241 -0.479 . . . . 0.0 110.963 -173.333 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 . . . . . 0 C--N 1.328 -0.361 0 CA-C-O 120.968 0.413 . . . . 0.0 110.215 176.964 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.487 HG22 ' O ' ' A' ' 12' ' ' VAL . 12.6 p . . . . . 0 N--CA 1.478 0.961 0 N-CA-C 113.858 1.058 . . . . 0.0 113.858 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 56.22 24.52 44.71 Favored Glycine 0 CA--C 1.521 0.455 0 C-N-CA 121.277 -0.487 . . . . 0.0 112.891 179.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.546 ' CZ2' ' HA ' ' A' ' 16' ' ' PRO . 67.0 t90 -116.33 139.15 50.71 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.819 0.342 . . . . 0.0 110.643 -175.627 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -123.69 134.59 25.4 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 174.491 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.546 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 1.0 OUTLIER -42.79 -39.43 7.39 Favored 'Trans proline' 0 CA--C 1.535 0.557 0 C-N-CA 124.28 3.32 . . . . 0.0 115.675 -170.156 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -103.47 -43.56 5.37 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 122.143 -0.348 . . . . 0.0 111.934 -173.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -85.86 -7.88 58.43 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -175.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.401 ' HA3' ' HA ' ' A' ' 44' ' ' THR . . . 80.62 -154.3 35.98 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.781 -0.723 . . . . 0.0 113.11 175.153 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.41 ' HB2' ' HB3' ' A' ' 43' ' ' LEU . 90.7 m-85 -78.91 131.88 36.55 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 179.588 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -76.09 84.29 2.94 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 174.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.732 ' HA ' ' HB3' ' A' ' 25' ' ' LEU . 24.8 m -54.07 -25.78 13.53 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.556 -175.517 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 30.8 p-10 -80.9 -10.09 59.76 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 120.967 0.413 . . . . 0.0 110.962 -179.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -127.61 19.09 6.77 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 175.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.732 ' HB3' ' HA ' ' A' ' 22' ' ' VAL . 0.2 OUTLIER -94.1 133.94 37.05 Favored 'General case' 0 N--CA 1.435 -1.202 0 CA-C-N 114.809 -1.087 . . . . 0.0 110.285 -168.924 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.488 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 11.9 t70 -58.3 129.62 83.52 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.392 -176.318 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.488 ' HD3' ' HA ' ' A' ' 26' ' ' ASP . 52.3 Cg_exo -55.53 -29.81 71.21 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 124.076 3.184 . . . . 0.0 114.148 -177.183 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -76.37 -43.63 39.89 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 -178.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.535 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 95.8 mt -59.89 -43.78 94.61 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 171.251 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -56.0 -43.38 77.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.676 179.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.5 t -60.05 -51.1 71.1 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.063 175.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.896 HD21 HG13 ' B' ' 79' ' ' VAL . 1.3 tm? -59.47 -55.4 35.05 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.948 -1.024 . . . . 0.0 111.592 -174.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.55 ' HB3' HD21 ' A' ' 43' ' ' LEU . 14.5 m-85 -59.96 -43.89 94.77 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.044 -178.116 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.6 t -65.05 -33.79 76.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.653 178.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.5 mtt180 -65.64 -28.05 68.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.102 0.477 . . . . 0.0 110.998 175.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.88 10.09 30.19 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.32 -177.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.08 -13.35 65.03 Favored Glycine 0 C--N 1.331 0.251 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.972 175.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.716 HD13 HD11 ' A' ' 52' ' ' ILE . 6.8 mt -70.92 112.55 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.878 0.37 . . . . 0.0 111.133 -179.599 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.4 t -73.85 165.21 25.52 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.276 176.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -59.63 -40.72 88.54 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.947 0.404 . . . . 0.0 110.921 -179.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.62 -30.17 71.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.503 0.668 . . . . 0.0 110.491 177.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.648 ' HG3' HG21 ' A' ' 48' ' ' THR . 2.6 tp-100 -76.81 -22.89 52.97 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.948 -179.281 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.55 HD21 ' HB3' ' A' ' 33' ' ' PHE . 87.0 mt -72.67 -18.71 61.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.533 175.408 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.401 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 52.1 p -97.89 2.68 49.46 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.307 0.575 . . . . 0.0 110.104 176.693 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.639 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 28.8 t70 -72.11 138.61 47.87 Favored 'General case' 0 CA--C 1.522 -0.115 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.858 175.656 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.43 -62.72 1.58 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -174.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.5 pm0 -70.31 -43.46 70.29 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 121.326 -0.15 . . . . 0.0 111.324 -176.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.648 HG21 ' HG3' ' A' ' 42' ' ' GLN . 38.9 m -54.54 -55.68 26.73 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.424 ' HB3' ' O ' ' A' ' 43' ' ' LEU . 92.5 p -66.35 -41.76 89.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.676 0.274 . . . . 0.0 111.219 -175.023 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -56.83 -43.57 81.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.701 -178.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.786 HD12 HD11 ' B' ' 92' ' ' ILE . 85.3 mt -81.06 -24.99 37.43 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.246 -176.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.716 HD11 HD13 ' A' ' 38' ' ' ILE . 45.9 mt -63.23 -45.37 98.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.373 168.334 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -60.64 -45.86 92.48 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.897 0.38 . . . . 0.0 110.248 177.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -57.32 -38.41 73.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.369 174.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 1.035 ' HE1' ' HG3' ' B' ' 82' ' ' ARG . 46.5 t80 -59.39 -46.91 87.35 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.363 176.042 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 52' ' ' ILE . 77.4 mt -64.31 -38.97 83.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.368 -177.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -66.47 -37.01 84.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.245 175.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.461 ' HB3' ' O ' ' A' ' 55' ' ' PHE . 20.7 t70 -58.41 -33.4 69.62 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.345 178.635 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.461 ' NE2' ' HG2' ' B' ' 82' ' ' ARG . 89.4 mm-40 -78.89 -19.97 50.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.375 -179.277 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 117.4 8.02 11.69 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.578 -0.82 . . . . 0.0 111.973 -176.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.67 -170.2 13.31 Favored Glycine 0 N--CA 1.44 -1.04 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.45 177.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.3 mp -71.74 -33.76 68.96 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.638 0.256 . . . . 0.0 111.57 -173.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -70.17 -28.94 65.73 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.898 0.38 . . . . 0.0 110.639 -177.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.468 ' O ' ' HG2' ' A' ' 68' ' ' GLU . . . -68.68 -51.06 45.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.789 179.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 45.9 t -59.52 -36.96 67.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.455 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 65.9 mtt180 -58.6 -31.2 67.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.226 176.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -87.11 -29.3 21.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.469 -177.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.715 ' CB ' ' HB ' ' B' ' 79' ' ' VAL . 7.5 mm-40 -63.74 -20.92 66.12 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.656 0.265 . . . . 0.0 110.72 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 9.5 mmt -55.13 -19.9 8.77 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.653 178.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 . . . . . 0 N--CA 1.447 -0.587 0 CA-C-O 121.309 0.576 . . . . 0.0 110.222 175.653 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.896 HG13 HD21 ' A' ' 32' ' ' LEU . 2.3 p . . . . . 0 CA--C 1.536 0.437 0 CA-C-O 121.116 0.484 . . . . 0.0 111.067 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -54.56 -30.15 53.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.125 0.488 . . . . 0.0 111.153 176.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 81' ' ' GLN . . . . . 0.646 ' HA ' ' HE2' ' B' ' 84' ' ' MET . 11.1 pt20 -70.84 -36.22 72.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.634 -178.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . 1.035 ' HG3' ' HE1' ' A' ' 55' ' ' PHE . 23.4 tpt180 -75.73 -20.74 58.12 Favored 'General case' 0 N--CA 1.44 -0.927 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.547 -176.108 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 0.53 HD13 ' CG ' ' A' ' 55' ' ' PHE . 14.5 tp -81.89 -41.84 20.38 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.557 -179.639 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 84' ' ' MET . . . . . 0.646 ' HE2' ' HA ' ' B' ' 81' ' ' GLN . 60.7 mtm -61.22 -40.33 93.6 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.972 0.415 . . . . 0.0 110.669 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . 0.54 ' O ' ' HG2' ' B' ' 89' ' ' GLU . 15.2 mm100 -65.8 -42.91 90.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.58 178.331 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . 0.438 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 78.4 t60 -66.48 -33.18 75.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.336 -175.347 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . 0.709 HD22 HG12 ' B' ' 92' ' ' ILE . 87.5 mt -77.65 -39.43 45.12 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.052 0.453 . . . . 0.0 110.696 179.478 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.27 -14.22 36.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.712 179.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . 0.54 ' HG2' ' O ' ' B' ' 85' ' ' GLN . 21.7 mm-40 -73.25 -18.72 61.2 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -126.07 -24.19 3.78 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 -173.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 108.25 48.19 0.89 Allowed Glycine 0 CA--C 1.518 0.227 0 C-N-CA 120.164 -1.017 . . . . 0.0 113.475 176.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . 0.786 HD11 HD12 ' A' ' 51' ' ' LEU . 1.7 mp -64.2 145.79 13.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 122.44 0.296 . . . . 0.0 110.807 173.105 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.363 177.663 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.744 0 N-CA-C 112.623 -0.191 . . . . 0.0 112.623 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 43.0 m80 -147.6 39.76 0.98 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 176.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.41 ' HG3' ' H ' ' A' ' 4' ' ' SER . 20.5 ptm -61.36 -61.69 2.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.922 -174.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.41 ' H ' ' HG3' ' A' ' 3' ' ' MET . 20.3 m -158.33 125.25 4.88 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 73.33 72.96 0.93 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.633 176.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 22.9 p90 -87.15 118.28 26.45 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.143 0.496 . . . . 0.0 110.515 178.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -83.24 57.18 3.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.499 0.666 . . . . 0.0 110.588 -177.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.422 ' HB3' ' CA ' ' A' ' 61' ' ' GLY . 6.7 p-80 -178.62 96.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.718 -1.128 . . . . 0.0 108.486 -179.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.538 HG12 ' H ' ' A' ' 11' ' ' HIS . 31.2 t -72.66 121.08 22.43 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 -174.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.8 m -63.64 -15.53 58.52 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.259 -176.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.538 ' H ' HG12 ' A' ' 9' ' ' VAL . 20.9 m170 -57.91 -60.16 4.14 Favored 'General case' 0 C--O 1.221 -0.402 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 170.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.538 HG22 ' O ' ' A' ' 12' ' ' VAL . 14.1 p 35.75 36.81 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.556 1.187 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 174.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 53.28 29.06 36.6 Favored Glycine 0 CA--C 1.522 0.474 0 O-C-N 121.727 -0.608 . . . . 0.0 112.804 -177.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.577 ' CH2' ' HA ' ' A' ' 16' ' ' PRO . 59.5 t90 -120.76 143.57 48.74 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 122.888 0.475 . . . . 0.0 110.18 -175.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -111.13 129.03 24.43 Favored Pre-proline 0 C--N 1.318 -0.785 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 174.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.577 ' HA ' ' CH2' ' A' ' 14' ' ' TRP . 4.2 Cg_endo -46.78 -32.45 12.28 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 124.287 3.325 . . . . 0.0 114.231 -174.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -105.56 -53.49 2.64 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -178.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -92.57 14.24 17.48 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.67 0.618 . . . . 0.0 112.67 -169.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.523 ' HA2' ' OG ' ' A' ' 49' ' ' SER . . . 82.2 -166.62 46.37 Favored Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.598 -0.811 . . . . 0.0 113.906 169.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.567 ' HA ' ' HA ' ' A' ' 14' ' ' TRP . 87.8 m-85 -70.55 130.14 41.07 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.142 -0.529 . . . . 0.0 110.703 -178.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -74.69 91.76 2.4 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 175.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.697 ' HA ' ' HB3' ' A' ' 25' ' ' LEU . 31.5 m -60.63 -11.74 4.2 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -173.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -83.93 -32.72 24.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.166 0.508 . . . . 0.0 109.78 175.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -109.94 28.51 8.52 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.003 177.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.697 ' HB3' ' HA ' ' A' ' 22' ' ' VAL . 0.7 OUTLIER -98.15 123.71 42.34 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-N 115.133 -0.939 . . . . 0.0 109.576 -172.29 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.55 ' OD2' ' HB2' ' A' ' 28' ' ' ASP . 28.6 t70 -58.67 129.47 84.78 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.114 -176.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' A' ' 26' ' ' ASP . 51.9 Cg_exo -56.05 -34.58 92.94 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 123.954 3.103 . . . . 0.0 113.682 -178.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.55 ' HB2' ' OD2' ' A' ' 26' ' ' ASP . 6.4 m-20 -67.89 -44.76 76.25 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 120.993 0.425 . . . . 0.0 109.889 178.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.601 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 96.9 mt -59.31 -46.78 87.64 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.647 172.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.0 ttt180 -56.31 -39.9 73.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.815 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.419 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 8.1 t -57.84 -53.55 57.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.728 176.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.826 HD13 HG13 ' B' ' 79' ' ' VAL . 45.0 tp -58.32 -50.91 71.95 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.058 -0.974 . . . . 0.0 111.572 -177.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.601 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 17.2 m-30 -62.58 -42.09 99.34 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.386 -173.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.7 t -64.95 -33.49 76.17 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.725 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 31' ' ' SER . 98.8 mtt180 -67.91 -45.82 73.32 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.371 0.605 . . . . 0.0 110.103 175.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.91 -23.81 67.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.617 -1.174 . . . . 0.0 111.628 -176.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 115.0 -17.48 17.32 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.896 -0.669 . . . . 0.0 111.553 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.532 ' CD1' HD13 ' B' ' 83' ' ' LEU . 6.1 mt -65.06 111.6 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 CA-C-N 115.098 -0.551 . . . . 0.0 110.384 178.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.9 t -91.46 179.94 5.54 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.368 178.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.526 ' HG3' HG11 ' A' ' 22' ' ' VAL . 45.0 tt0 -54.16 -46.05 72.21 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 122.897 0.479 . . . . 0.0 111.058 -177.392 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.92 -53.77 54.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.179 176.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.622 ' HB3' HG21 ' A' ' 48' ' ' THR . 50.1 mt-30 -57.59 -41.05 80.39 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.991 -0.284 . . . . 0.0 111.08 -179.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.5 mt -60.73 -26.24 67.04 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.476 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.9 p -102.61 13.36 34.68 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.141 0.496 . . . . 0.0 110.818 -177.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.448 ' OD1' ' HB1' ' B' ' 99' ' ' ALA . 9.2 t70 -93.9 152.31 18.96 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.783 176.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.46 -69.2 0.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -174.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -65.85 -37.05 85.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.758 -172.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.65 ' HA ' HG13 ' B' ' 92' ' ' ILE . 35.7 m -58.77 -60.1 4.38 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.696 179.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.523 ' OG ' ' HA2' ' A' ' 19' ' ' GLY . 96.8 p -66.91 -36.26 81.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 0.0 111.478 -174.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.4 tttp -56.57 -43.94 80.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.094 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.579 HD12 HD11 ' B' ' 92' ' ' ILE . 42.2 mt -80.36 -22.85 40.97 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.551 -179.058 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.624 ' O ' ' HB3' ' A' ' 55' ' ' PHE . 59.9 mt -65.13 -42.81 95.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.639 0.257 . . . . 0.0 110.827 170.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -64.03 -46.61 83.69 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.264 -0.575 . . . . 0.0 110.171 176.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -56.5 -38.96 72.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.184 0.516 . . . . 0.0 110.107 175.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.632 ' CZ ' ' HG ' ' B' ' 83' ' ' LEU . 32.6 t80 -54.72 -56.69 16.53 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.349 -0.842 . . . . 0.0 110.713 173.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.729 HG21 HD23 ' A' ' 62' ' ' LEU . 68.7 mt -59.12 -37.87 70.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.231 -177.363 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -75.0 -23.96 58.34 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.707 -177.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -64.93 -39.25 93.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.474 HE21 ' HB2' ' A' ' 59' ' ' GLN . 1.5 mp0 -85.57 1.99 46.77 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 120.66 -0.416 . . . . 0.0 111.576 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.32 -26.26 7.45 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.185 -1.007 . . . . 0.0 113.802 175.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.422 ' CA ' ' HB3' ' A' ' 8' ' ' HIS . . . 148.72 -165.6 29.2 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 119.679 -1.248 . . . . 0.0 113.536 178.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.729 HD23 HG21 ' A' ' 56' ' ' ILE . 96.7 mt -67.24 -50.36 60.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.858 0.361 . . . . 0.0 111.429 -174.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.575 ' O ' ' HG2' ' A' ' 67' ' ' GLN . 6.1 mm-40 -61.07 -32.73 72.37 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.342 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.58 -50.38 67.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.649 -175.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.958 ' HA ' ' HG3' ' A' ' 68' ' ' GLU . 5.3 m -71.2 -26.51 27.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.031 0.444 . . . . 0.0 110.424 -178.001 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.484 ' O ' ' HB2' ' A' ' 69' ' ' MET . 63.3 mtt180 -66.35 -35.65 80.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.909 174.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.575 ' HG2' ' O ' ' A' ' 63' ' ' GLU . 14.4 mm100 -69.3 -34.8 75.23 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.5 177.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.958 ' HG3' ' HA ' ' A' ' 65' ' ' VAL . 3.3 mt-10 -59.63 -29.99 68.4 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.263 0.352 . . . . 0.0 110.278 177.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.595 ' HA ' ' HB2' ' B' ' 78' ' ' ASP . 36.8 mtt -56.39 -36.34 68.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.962 0.41 . . . . 0.0 110.784 178.363 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.0 mpt_? -107.86 13.91 25.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.275 -178.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.1 tmm_? -140.86 -63.03 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.362 0.505 . . . . 0.0 112.362 -171.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.023 0 CA-C-O 117.882 -1.056 . . . . 0.0 110.122 -175.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.825 0 N-CA-C 111.289 -0.724 . . . . 0.0 111.289 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -71.42 -7.48 47.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.801 0.301 . . . . 0.0 111.364 -173.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' MET . . . . . . . . . . . . . 50.2 ttm -78.64 69.88 4.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.314 0.578 . . . . 0.0 110.89 179.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . 0.713 ' HB2' ' HB3' ' B' ' 81' ' ' GLN . 28.9 mt -119.83 146.69 42.42 Favored Pre-proline 0 C--N 1.327 -0.413 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.808 175.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -88.3 11.12 3.18 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 123.013 2.475 . . . . 0.0 113.804 -173.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' ASP . . . . . 0.595 ' HB2' ' HA ' ' A' ' 69' ' ' MET . 9.3 p-10 -143.13 -168.57 2.83 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.843 0.354 . . . . 0.0 111.361 -176.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.826 HG13 HD13 ' A' ' 32' ' ' LEU . 2.4 p -60.82 -17.74 16.08 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 CA-C-N 115.755 -0.657 . . . . 0.0 112.407 -178.138 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.33 -32.28 73.02 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -176.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' GLN . . . . . 0.713 ' HB3' ' HB2' ' B' ' 76' ' ' LEU . 2.4 pt20 -65.89 -35.87 81.83 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.414 0.626 . . . . 0.0 109.391 177.375 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . 0.523 ' N ' ' HG3' ' B' ' 81' ' ' GLN . 4.6 tpp180 -63.25 -23.73 67.55 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 114.73 -1.123 . . . . 0.0 110.485 -176.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 0.632 ' HG ' ' CZ ' ' A' ' 55' ' ' PHE . 1.8 mt -82.03 -37.15 26.94 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.878 -176.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 59.5 mtt -59.64 -35.9 75.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.628 -178.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -71.03 -40.48 71.71 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.775 178.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . 0.485 ' HA ' ' OE2' ' B' ' 89' ' ' GLU . 30.7 t60 -73.96 -29.02 61.77 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -169.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.609 ' HA ' HD13 ' B' ' 92' ' ' ILE . 0.3 OUTLIER -80.66 -38.7 28.58 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.17 -0.612 . . . . 0.0 110.075 174.45 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.53 -32.06 71.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.7 -176.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.485 ' OE2' ' HA ' ' B' ' 86' ' ' HIS . 13.0 pt-20 -74.37 0.15 15.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.884 -177.15 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 -122.21 -64.19 1.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.575 -0.45 . . . . 0.0 112.191 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 148.98 32.19 0.05 OUTLIER Glycine 0 C--N 1.329 0.185 0 C-N-CA 120.422 -0.894 . . . . 0.0 112.929 -179.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . 0.65 HG13 ' HA ' ' A' ' 48' ' ' THR . 1.7 mp -59.37 143.96 13.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.922 0.391 . . . . 0.0 111.626 178.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . 0.44 ' HA ' ' HD3' ' B' ' 94' ' ' PRO . 5.0 tp-100 -82.54 126.26 74.09 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.084 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' B' ' 93' ' ' GLN . 30.6 Cg_exo -60.86 159.57 28.63 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 123.539 2.826 . . . . 0.0 113.143 -178.074 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.11 82.63 0.98 Allowed 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.57 179.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . 0.626 ' HG3' ' OD1' ' B' ' 97' ' ' ASN . 16.3 tpt180 -156.81 -79.75 0.08 Allowed 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.618 -175.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' ASN . . . . . 0.626 ' OD1' ' HG3' ' B' ' 96' ' ' ARG . 3.9 p-10 -174.01 -171.68 0.65 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 177.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' MET . . . . . . . . . . . . . 25.7 ttt 65.94 30.88 9.57 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.862 0.839 . . . . 0.0 110.178 -177.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' ALA . . . . . 0.448 ' HB1' ' OD1' ' A' ' 45' ' ' ASP . . . -93.43 174.14 7.35 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.225 179.066 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -73.52 -55.76 5.91 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.82 -178.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 25.8 p-80 -69.56 144.77 52.99 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.716 -175.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' ILE . . . . . 0.408 ' HA ' ' HD3' ' B' ' 103' ' ' PRO . 43.0 pt -113.55 152.1 45.09 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.253 -176.49 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' PRO . . . . . 0.426 ' HA ' ' HD3' ' B' ' 104' ' ' PRO . 7.8 Cg_exo -72.86 133.9 20.83 Favored 'Trans proline' 0 C--O 1.236 0.378 0 C-N-CA 123.215 2.61 . . . . 0.0 111.658 175.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' B' ' 103' ' ' PRO . 29.5 Cg_exo -61.43 133.07 43.98 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.826 2.351 . . . . 0.0 112.207 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' ALA . . . . . 0.476 ' HA ' ' HD3' ' B' ' 106' ' ' PRO . . . -105.99 128.4 26.47 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.755 -178.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' B' ' 105' ' ' ALA . 7.3 Cg_exo -73.98 131.8 16.05 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 123.168 2.579 . . . . 0.0 112.088 177.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -107.88 150.97 26.4 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.334 -178.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 16.7 m-90 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.666 -0.683 . . . . 0.0 110.287 -179.34 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.679 0 N-CA-C 112.008 -0.437 . . . . 0.0 112.008 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -87.25 66.23 9.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.084 0.469 . . . . 0.0 110.66 176.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 49.9 ttm -151.81 97.99 2.42 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.02 0.438 . . . . 0.0 111.536 -178.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 54.9 p -149.01 -32.77 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.022 173.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -122.18 63.21 0.53 Allowed Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.476 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -96.55 94.48 7.38 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.901 0.381 . . . . 0.0 111.357 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.461 ' HD2' ' CD ' ' A' ' 63' ' ' GLU . 48.6 mttp -69.67 -60.69 2.15 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 170.173 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.484 ' CD2' ' HA ' ' A' ' 11' ' ' HIS . 31.4 t-80 45.52 71.58 0.27 Allowed 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.133 -0.939 . . . . 0.0 113.134 159.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.7 m -108.65 -37.05 3.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.219 177.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.9 t -79.98 -7.32 58.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.07 0.462 . . . . 0.0 110.558 177.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.484 ' HA ' ' CD2' ' A' ' 8' ' ' HIS . 74.2 m80 67.95 8.68 6.64 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.509 -174.129 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.815 HG22 HD11 ' A' ' 62' ' ' LEU . 44.0 t 72.27 -35.52 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 123.862 0.865 . . . . 0.0 112.571 176.552 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.0 13.22 34.52 Favored Glycine 0 N--CA 1.447 -0.609 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 -176.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 69.2 t90 -95.77 125.54 40.41 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 120.958 0.409 . . . . 0.0 110.762 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -108.24 133.76 20.43 Favored Pre-proline 0 C--N 1.319 -0.719 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.354 174.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -55.31 -26.68 53.67 Favored 'Trans proline' 0 CA--C 1.529 0.243 0 C-N-CA 123.699 2.933 . . . . 0.0 113.85 -175.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -104.9 -36.26 7.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.755 0.312 . . . . 0.0 111.766 -179.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -99.39 -7.28 26.39 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -172.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.499 ' HA3' ' HA ' ' A' ' 44' ' ' THR . . . 79.94 -156.5 40.17 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.264 178.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.604 ' HB3' HD21 ' A' ' 25' ' ' LEU . 95.6 m-85 -77.54 124.81 28.4 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 178.509 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -65.52 100.7 0.52 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.269 0.557 . . . . 0.0 109.588 178.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.67 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 20.5 m -70.91 -4.8 4.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.953 -172.508 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -78.95 -40.93 30.54 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.025 0.44 . . . . 0.0 109.948 179.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -115.68 32.5 6.04 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.746 -177.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.67 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 29.4 mt -65.99 129.19 38.94 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.064 174.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.441 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 1.1 m-20 -63.59 134.51 95.9 Favored Pre-proline 0 C--N 1.322 -0.614 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 173.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.479 ' O ' ' HB2' ' A' ' 31' ' ' SER . 82.5 Cg_exo -48.1 -31.94 17.53 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 124.178 3.252 . . . . 0.0 113.574 -174.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -72.2 -51.85 19.24 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.956 178.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 96.5 mt -58.47 -45.3 88.92 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.809 0.338 . . . . 0.0 110.535 176.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -60.84 -44.95 96.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.626 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.479 ' HB2' ' O ' ' A' ' 27' ' ' PRO . 1.4 t -60.15 -46.73 88.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.25 178.22 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.582 HD21 HG23 ' B' ' 79' ' ' VAL . 1.3 tm? -66.51 -56.21 11.95 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.825 -175.024 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -58.31 -42.97 87.89 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.423 -175.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 70.7 m -70.6 -19.21 62.87 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.002 177.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 45.3 ttp180 -90.14 -9.27 48.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.467 0.651 . . . . 0.0 109.4 176.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.571 ' O ' ' HG2' ' B' ' 84' ' ' MET . . . -96.76 6.49 48.58 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.94 177.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.0 -7.82 80.09 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.62 176.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.634 HD13 ' CD1' ' A' ' 52' ' ' ILE . 6.2 mt -75.02 105.96 4.4 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 CA-C-O 120.864 0.364 . . . . 0.0 110.427 179.19 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.6 m -69.03 161.33 29.22 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.187 177.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -52.95 -45.92 67.92 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.95 0.405 . . . . 0.0 110.884 -175.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.06 -46.78 87.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.131 178.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.943 ' HG2' HG21 ' A' ' 48' ' ' THR . 36.6 tt0 -61.35 -33.29 73.39 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.578 0.704 . . . . 0.0 110.224 -179.234 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.487 ' HG ' ' HB2' ' A' ' 20' ' ' PHE . 19.0 tp -68.41 -19.39 64.6 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.711 -179.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.499 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 6.8 p -108.38 12.94 25.94 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.869 179.439 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -86.06 146.05 26.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.053 172.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.4 -69.54 0.16 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -169.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -66.2 -39.98 90.04 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 121.152 -0.219 . . . . 0.0 111.37 -173.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.943 HG21 ' HG2' ' A' ' 42' ' ' GLN . 24.7 m -52.1 -58.61 6.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.653 0.263 . . . . 0.0 111.459 177.224 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.513 ' HA ' HD12 ' A' ' 52' ' ' ILE . 79.8 p -64.61 -38.02 89.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.013 0.435 . . . . 0.0 110.998 -176.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -61.33 -38.12 85.77 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.09 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.957 HD12 HD11 ' B' ' 92' ' ' ILE . 68.4 mt -80.42 -26.96 38.16 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.274 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.634 ' CD1' HD13 ' A' ' 38' ' ' ILE . 81.6 mt -62.54 -45.19 99.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.049 0.452 . . . . 0.0 109.918 168.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.475 ' HE1' HG21 ' A' ' 12' ' ' VAL . 26.1 t80 -61.0 -40.9 95.3 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.85 178.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -60.27 -46.62 89.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.251 173.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 1.048 ' HE1' ' HG3' ' B' ' 82' ' ' ARG . 55.4 t80 -53.48 -49.42 67.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.261 -0.882 . . . . 0.0 111.532 176.602 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.709 HG21 HD23 ' A' ' 62' ' ' LEU . 99.3 mt -59.5 -40.64 82.4 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.884 0 CA-C-N 115.331 -0.849 . . . . 0.0 111.697 -175.21 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -67.08 -38.05 85.05 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 178.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -55.79 -39.85 71.84 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.277 0.56 . . . . 0.0 110.484 177.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.501 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 12.2 mm100 -80.16 -18.24 50.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.333 -176.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.11 4.38 12.44 Favored Glycine 0 CA--C 1.52 0.387 0 C-N-CA 120.719 -0.753 . . . . 0.0 113.357 179.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 111.47 178.28 20.24 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.285 179.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.815 HD11 HG22 ' A' ' 12' ' ' VAL . 80.3 mt -59.13 -41.21 87.69 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.234 0.54 . . . . 0.0 110.863 -176.586 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.467 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 32.3 mp0 -64.02 -29.23 70.4 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.554 -176.255 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.54 -47.11 43.41 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.381 -177.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.771 ' HB ' HG11 ' B' ' 79' ' ' VAL . 1.5 m -66.95 -25.89 35.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-O 121.113 0.482 . . . . 0.0 110.267 -176.33 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -62.27 -36.73 82.99 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.099 173.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' A' ' 63' ' ' GLU . 87.0 mt-30 -74.75 -41.0 60.92 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.915 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.91 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 1.9 mm-40 -57.07 -28.12 62.31 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.576 -175.262 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 31.7 mtt -54.39 -36.34 63.81 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.228 0.537 . . . . 0.0 110.905 175.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 -122.22 27.36 8.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.218 178.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.91 ' HB3' ' HA ' ' A' ' 68' ' ' GLU . 6.6 ttt180 -120.65 -58.72 1.81 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.681 -178.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.683 ' HB2' ' HA ' ' B' ' 78' ' ' ASP . 75.5 mt-30 . . . . . 0 C--O 1.25 1.118 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.8 174.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.715 0 N-CA-C 111.741 -0.544 . . . . 0.0 111.741 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 61.54 44.47 9.16 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.41 0.624 . . . . 0.0 110.059 175.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' MET . . . . . . . . . . . . . 26.1 ptt? -60.84 -30.82 70.33 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.903 178.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . 0.81 ' H ' ' HG3' ' B' ' 81' ' ' GLN . 8.2 tp -93.22 134.36 27.15 Favored Pre-proline 0 C--N 1.316 -0.875 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 172.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' PRO . . . . . 0.597 ' O ' ' HB3' ' A' ' 72' ' ' GLN . 73.2 Cg_endo -73.71 -28.26 11.83 Favored 'Trans proline' 0 N--CA 1.462 -0.351 0 C-N-CA 122.628 2.219 . . . . 0.0 114.288 -163.468 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' ASP . . . . . 0.683 ' HA ' ' HB2' ' A' ' 72' ' ' GLN . 7.1 p-10 -102.68 -166.92 1.33 Allowed 'General case' 0 C--N 1.312 -1.043 0 CA-C-O 121.445 0.64 . . . . 0.0 112.578 -169.407 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.771 HG11 ' HB ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -44.95 -36.12 1.42 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.333 0 CA-C-N 114.426 -1.261 . . . . 0.0 112.416 175.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.589 ' HB3' HD23 ' B' ' 76' ' ' LEU . . . -47.92 -62.35 1.51 Allowed 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 -175.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' GLN . . . . . 0.81 ' HG3' ' H ' ' B' ' 76' ' ' LEU . 0.0 OUTLIER -72.1 -33.69 68.05 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 121.886 -0.509 . . . . 0.0 110.889 -179.31 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . 1.048 ' HG3' ' HE1' ' A' ' 55' ' ' PHE . 18.7 tpt180 -58.32 -33.39 69.45 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.581 0.705 . . . . 0.0 110.119 177.433 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 0.521 HD13 ' CG ' ' A' ' 55' ' ' PHE . 32.0 tp -82.5 -44.37 16.05 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.049 179.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' MET . . . . . 0.586 ' HG3' ' O ' ' B' ' 80' ' ' ALA . 67.6 mtt -46.88 -53.6 11.79 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 121.257 0.551 . . . . 0.0 111.241 -179.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -71.87 -26.91 62.54 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.829 -175.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . 0.407 ' HA ' ' HG2' ' B' ' 89' ' ' GLU . 74.1 t60 -68.9 -18.12 64.07 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.326 -178.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.885 HD12 HG13 ' B' ' 92' ' ' ILE . 1.7 mm? -84.29 -46.5 11.73 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.218 0.532 . . . . 0.0 109.868 171.38 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.07 -16.83 63.19 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.512 -0.767 . . . . 0.0 112.326 -174.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.626 ' HG3' ' CD2' ' B' ' 90' ' ' HIS . 8.2 pt-20 -78.42 -5.87 53.63 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.666 0.247 . . . . 0.0 111.666 179.175 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . 0.626 ' CD2' ' HG3' ' B' ' 89' ' ' GLU . 90.3 m-70 -117.13 -73.48 0.64 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -177.149 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 161.18 66.12 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 -173.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . 0.957 HD11 HD12 ' A' ' 51' ' ' LEU . 19.6 mm -107.89 142.15 21.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.195 -0.503 . . . . 0.0 111.654 -173.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -95.63 127.93 39.82 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.491 176.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 94' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -66.29 167.72 17.79 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.955 2.436 . . . . 0.0 111.455 172.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . 0.45 ' HB2' ' HB2' ' A' ' 42' ' ' GLN . . . -70.09 81.74 0.5 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.329 0.585 . . . . 0.0 110.786 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 2.5 tpm_? -64.34 112.49 3.1 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.287 -0.869 . . . . 0.0 111.342 -177.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 15.8 p30 -77.42 45.46 0.47 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.242 177.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 98' ' ' MET . . . . . . . . . . . . . 58.5 ttp -150.96 -46.47 0.12 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.717 0.77 . . . . 0.0 109.008 -179.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -95.85 55.65 1.63 Allowed 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 114.763 -1.108 . . . . 0.0 109.15 172.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -71.36 114.13 9.11 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.212 -173.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 7.4 p80 -81.22 102.09 10.12 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.321 172.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 41.3 pt -77.05 136.98 65.61 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.776 -173.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -72.77 145.35 40.85 Favored 'Trans proline' 0 N--CA 1.459 -0.523 0 C-N-CA 122.704 2.269 . . . . 0.0 110.655 171.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -55.25 114.33 1.82 Allowed 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.619 2.213 . . . . 0.0 112.145 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -75.07 125.64 88.99 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.71 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -88.87 123.86 1.47 Allowed 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 122.886 2.391 . . . . 0.0 112.173 178.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -75.38 104.25 5.87 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.263 177.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 70.1 t-105 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.413 -0.803 . . . . 0.0 109.74 -177.944 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.916 0 N-CA-C 112.12 -0.392 . . . . 0.0 112.12 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 24.3 m80 -96.49 -55.77 2.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.885 0.374 . . . . 0.0 110.91 177.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.3 mmt -100.95 143.49 31.03 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.202 0.525 . . . . 0.0 111.662 -174.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.9 t -138.36 81.48 1.86 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.489 -0.778 . . . . 0.0 108.967 173.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -105.43 -174.41 24.11 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.318 -177.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -100.91 97.22 7.84 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.089 0.471 . . . . 0.0 110.373 -178.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -89.12 61.7 5.92 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.653 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.691 ' H ' HD12 ' A' ' 62' ' ' LEU . 30.2 p-80 41.94 59.84 2.43 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.078 -178.544 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.5 m -85.92 14.65 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 O-C-N 122.051 -0.406 . . . . 0.0 110.612 -176.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.766 ' HA ' ' OH ' ' A' ' 53' ' ' TYR . 51.8 p 64.81 -42.03 0.3 Allowed 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.196 1.399 . . . . 0.0 111.556 -173.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 22.6 t-80 -83.71 55.5 3.26 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 171.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.598 HG11 HD21 ' A' ' 62' ' ' LEU . 17.4 t -70.55 61.51 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-N 114.65 -1.159 . . . . 0.0 111.898 -176.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 64.0 10.78 41.64 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 121.047 -0.597 . . . . 0.0 112.055 -178.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.478 ' CZ2' ' HA ' ' A' ' 16' ' ' PRO . 70.4 t90 -102.89 132.56 49.02 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.876 0.369 . . . . 0.0 111.087 -177.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.707 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . 1.6 t70 -112.48 135.29 21.47 Favored Pre-proline 0 C--N 1.324 -0.536 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 174.334 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.478 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 84.2 Cg_exo -45.27 -57.74 1.96 Allowed 'Trans proline' 0 CA--C 1.533 0.452 0 C-N-CA 123.853 3.035 . . . . 0.0 114.326 -172.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -92.49 -24.01 18.93 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.625 -174.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.707 ' HB3' ' HB3' ' A' ' 15' ' ' ASP . 54.2 t30 -89.93 -31.84 17.09 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.527 -172.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.55 -164.03 18.84 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.989 -0.624 . . . . 0.0 111.891 -179.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.478 ' HB3' HD21 ' A' ' 25' ' ' LEU . 35.5 m-85 -75.68 134.22 40.61 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 177.215 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.418 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 11.8 t0 -78.18 113.92 16.59 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 175.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.629 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 4.5 m -69.43 -9.74 12.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.771 -177.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -82.46 -46.67 13.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.281 174.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -102.65 42.09 1.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.279 178.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.629 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 15.3 mt -76.0 125.13 28.54 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.309 174.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.584 ' HB3' HD22 ' A' ' 29' ' ' LEU . 7.3 t70 -55.68 132.6 72.01 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.875 175.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 26' ' ' ASP . 73.5 Cg_exo -49.47 -34.31 32.85 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 124.074 3.183 . . . . 0.0 113.978 -175.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -86.36 -39.59 16.28 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 -177.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.762 HD11 HD22 ' A' ' 62' ' ' LEU . 7.9 mp -53.72 -49.39 68.22 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 120.919 0.39 . . . . 0.0 110.689 169.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -53.32 -43.78 67.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.125 179.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.8 t -64.23 -49.87 70.24 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.449 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.1 tp -63.86 -51.52 64.23 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.134 -175.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.574 ' HB3' ' HB ' ' A' ' 38' ' ' ILE . 14.3 m-30 -61.05 -30.71 70.49 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.304 -173.478 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.3 t -63.16 -42.22 99.39 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 121.095 0.474 . . . . 0.0 110.031 175.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 47.9 mtt180 -65.8 -39.56 91.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.925 176.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.47 -10.56 59.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.254 -0.884 . . . . 0.0 111.669 -175.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.91 -10.9 66.2 Favored Glycine 0 C--N 1.33 0.241 0 C-N-CA 121.048 -0.596 . . . . 0.0 112.513 176.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.842 HD13 HD13 ' A' ' 52' ' ' ILE . 6.9 mt -66.53 106.76 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 120.864 0.364 . . . . 0.0 110.972 -178.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.9 m -91.49 178.68 5.88 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.95 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.494 ' HG3' HG11 ' A' ' 22' ' ' VAL . 33.8 tt0 -46.41 -53.48 10.95 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 123.432 0.458 . . . . 0.0 111.917 -179.018 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.483 ' HB3' ' HB1' ' B' ' 95' ' ' ALA . . . -60.71 -40.73 93.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.116 -177.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 1.045 ' HG2' HG21 ' A' ' 48' ' ' THR . 33.8 tt0 -72.14 -32.53 67.0 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.916 0.389 . . . . 0.0 110.491 -176.147 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.663 ' HG ' HG22 ' A' ' 38' ' ' ILE . 34.5 mt -71.34 -24.93 62.2 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.544 174.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.1 p -100.39 19.32 16.93 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.739 0.78 . . . . 0.0 110.136 179.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.613 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 29.8 t70 -86.31 155.09 20.79 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.898 173.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.31 -60.27 2.32 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -176.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -78.94 -37.21 40.25 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.427 -173.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 1.045 HG21 ' HG2' ' A' ' 42' ' ' GLN . 35.0 m -55.58 -58.96 5.62 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.715 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 82.1 p -60.82 -42.42 97.65 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.847 0.356 . . . . 0.0 111.589 -174.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.12 -37.93 78.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.682 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.83 HD12 HD11 ' B' ' 92' ' ' ILE . 93.8 mt -88.64 -21.57 23.9 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.798 -178.112 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.842 HD13 HD13 ' A' ' 38' ' ' ILE . 60.7 mt -62.87 -47.28 93.58 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.324 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 167.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.766 ' OH ' ' HA ' ' A' ' 10' ' ' SER . 59.3 t80 -66.89 -35.98 81.24 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.935 177.128 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.626 ' HB3' ' HA ' ' A' ' 51' ' ' LEU . 30.9 t70 -59.64 -32.97 70.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.488 0.661 . . . . 0.0 109.988 174.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.693 ' CZ ' HG12 ' B' ' 79' ' ' VAL . 26.2 t80 -69.48 -44.95 70.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.723 175.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.668 HG21 HD23 ' A' ' 62' ' ' LEU . 98.8 mt -63.34 -41.62 93.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.144 178.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -63.9 -41.02 97.81 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.889 174.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.494 ' HB3' ' O ' ' A' ' 55' ' ' PHE . 30.1 t70 -51.55 -37.1 47.97 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.852 173.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.634 HE22 ' NE ' ' B' ' 82' ' ' ARG . 71.7 mm-40 -72.39 -27.67 62.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.305 0.574 . . . . 0.0 110.606 176.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.73 -5.25 12.83 Favored Glycine 0 N--CA 1.446 -0.648 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.627 -176.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 131.89 -175.71 19.61 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.312 178.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.762 HD22 HD11 ' A' ' 29' ' ' LEU . 82.7 mt -60.07 -46.14 90.57 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 122.612 0.365 . . . . 0.0 111.727 -175.139 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.17 -31.98 70.63 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.631 -178.268 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.13 -40.53 78.23 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.932 0.396 . . . . 0.0 110.472 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.641 HG13 HG11 ' B' ' 79' ' ' VAL . 81.4 t -62.71 -37.37 78.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.437 0.637 . . . . 0.0 110.341 177.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 43.2 mtt85 -63.37 -28.38 69.95 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.906 177.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -80.0 -37.87 33.28 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.53 176.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.762 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 5.4 mm-40 -55.32 -39.22 69.7 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 120.816 0.341 . . . . 0.0 111.626 175.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 38.7 mtt -52.68 -24.46 8.6 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.338 174.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.2 mtp180 -116.03 2.87 13.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.634 178.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.762 ' HB3' ' HA ' ' A' ' 68' ' ' GLU . 62.7 ttt-85 -104.78 -104.74 0.31 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.324 -174.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.559 ' HB2' ' O ' ' A' ' 71' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.246 0.876 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 -176.352 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.718 0 N-CA-C 111.585 -0.606 . . . . 0.0 111.585 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . 0.47 ' HA ' ' SD ' ' B' ' 84' ' ' MET . 44.9 t-80 -83.03 73.35 10.05 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.243 0.544 . . . . 0.0 110.861 -179.13 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' MET . . . . . . . . . . . . . 44.8 ttm -155.98 72.4 0.77 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.902 176.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . 0.629 ' HG ' ' HB3' ' B' ' 80' ' ' ALA . 3.5 mm? -120.74 151.03 53.89 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.049 -179.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' PRO . . . . . 0.52 ' O ' ' HA ' ' A' ' 72' ' ' GLN . 56.2 Cg_endo -94.46 32.21 0.21 Allowed 'Trans proline' 0 N--CA 1.456 -0.711 0 C-N-CA 123.01 2.474 . . . . 0.0 112.585 179.063 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -164.31 -166.85 1.18 Allowed 'General case' 0 C--O 1.238 0.449 0 CA-C-O 120.803 0.335 . . . . 0.0 111.706 -176.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.693 HG12 ' CZ ' ' A' ' 55' ' ' PHE . 0.0 OUTLIER -35.11 -41.72 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 124.616 1.167 . . . . 0.0 114.065 175.433 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.629 ' HB3' ' HG ' ' B' ' 76' ' ' LEU . . . -53.76 -51.77 62.32 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -171.31 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' GLN . . . . . 0.507 ' HB3' ' H ' ' B' ' 76' ' ' LEU . 14.6 pt20 -69.85 -27.99 65.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.733 0.778 . . . . 0.0 109.645 -178.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . 0.689 ' HG2' ' HE1' ' A' ' 55' ' ' PHE . 66.8 ttt180 -76.75 -17.19 59.21 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 114.672 -1.149 . . . . 0.0 109.744 -176.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 0.696 HD13 HD11 ' A' ' 38' ' ' ILE . 0.5 OUTLIER -79.78 -43.46 22.44 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.225 -179.682 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' MET . . . . . 0.47 ' SD ' ' HA ' ' B' ' 74' ' ' HIS . 47.9 mtt -59.55 -42.13 91.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.019 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . 0.607 ' O ' ' HG2' ' B' ' 89' ' ' GLU . 15.9 mm100 -62.72 -51.85 65.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.895 177.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . 0.504 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 58.1 t60 -59.27 -32.42 70.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.29 -175.264 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.846 HD22 HG12 ' B' ' 92' ' ' ILE . 88.9 mt -80.5 -47.47 14.22 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.943 0.401 . . . . 0.0 110.756 178.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.24 -31.88 65.99 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.121 -179.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.607 ' HG2' ' O ' ' B' ' 85' ' ' GLN . 19.9 mm-40 -60.3 -26.94 66.91 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 179.012 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -102.42 -33.37 9.57 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.764 -0.374 . . . . 0.0 111.558 -176.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 117.78 25.52 3.06 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.334 -0.936 . . . . 0.0 112.908 178.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . 0.846 HG12 HD22 ' B' ' 87' ' ' LEU . 1.6 mp -49.36 141.13 2.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 121.166 0.508 . . . . 0.0 111.666 176.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . 0.503 ' HB3' ' HB3' ' B' ' 97' ' ' ASN . 31.3 mm-40 -102.94 122.75 44.53 Favored Pre-proline 0 N--CA 1.445 -0.676 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.944 178.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 94' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' B' ' 93' ' ' GLN . 45.6 Cg_exo -57.95 172.26 1.28 Allowed 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 123.037 2.491 . . . . 0.0 112.234 178.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . 0.638 ' HB2' ' HB2' ' A' ' 42' ' ' GLN . . . -69.72 28.65 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -168.005 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . 0.419 ' HD3' ' HA ' ' B' ' 96' ' ' ARG . 26.4 mmt180 -139.11 39.11 2.12 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.108 0.48 . . . . 0.0 110.245 176.35 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 97' ' ' ASN . . . . . 0.503 ' HB3' ' HB3' ' B' ' 93' ' ' GLN . 24.1 p-10 -100.45 132.23 45.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.37 0.605 . . . . 0.0 111.093 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 98' ' ' MET . . . . . . . . . . . . . 24.9 ptt? -100.0 19.77 15.65 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.567 -178.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.83 -21.24 66.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.034 179.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . 0.402 ' O ' ' HB2' ' B' ' 101' ' ' HIS . 23.7 tt0 -173.37 -130.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 -179.311 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' HIS . . . . . 0.411 ' HE1' ' O ' ' A' ' 41' ' ' ALA . 30.5 m-70 73.87 144.51 0.07 Allowed 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.125 0.57 . . . . 0.0 112.124 174.313 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' ILE . . . . . 0.444 ' HA ' ' HD3' ' B' ' 103' ' ' PRO . 56.6 mt -92.26 116.42 66.45 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.564 -0.743 . . . . 0.0 111.215 -176.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' B' ' 102' ' ' ILE . 5.9 Cg_exo -75.16 153.79 41.28 Favored 'Trans proline' 0 N--CA 1.463 -0.289 0 C-N-CA 123.32 2.68 . . . . 0.0 111.439 175.239 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -55.7 113.98 1.68 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.818 2.345 . . . . 0.0 111.994 178.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.12 126.04 82.49 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.053 -177.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' PRO . . . . . 0.477 ' HA ' ' CZ3' ' B' ' 108' ' ' TRP . 74.6 Cg_endo -78.57 66.98 8.49 Favored 'Trans proline' 0 N--CA 1.463 -0.271 0 C-N-CA 122.907 2.405 . . . . 0.0 112.959 -176.506 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -115.33 54.92 0.78 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.145 0.497 . . . . 0.0 110.249 178.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' TRP . . . . . 0.477 ' CZ3' ' HA ' ' B' ' 106' ' ' PRO . 6.5 m-90 . . . . . 0 C--O 1.247 0.959 0 CA-C-O 118.576 -0.726 . . . . 0.0 109.877 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.685 0 N-CA-C 111.758 -0.537 . . . . 0.0 111.758 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 16.4 m80 -131.56 51.24 2.16 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.832 0.349 . . . . 0.0 110.899 177.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.734 ' HG3' ' HE2' ' A' ' 6' ' ' PHE . 1.5 mpt? 59.11 50.62 7.88 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.157 174.394 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.5 m -105.34 -28.61 10.79 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.343 -175.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -131.02 63.68 0.63 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.345 -0.931 . . . . 0.0 112.953 -176.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.734 ' HE2' ' HG3' ' A' ' 3' ' ' MET . 9.0 m-85 -106.89 69.32 0.76 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.156 0.503 . . . . 0.0 111.697 179.385 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -72.44 -35.09 68.22 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 171.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -127.88 146.06 50.75 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.016 -0.993 . . . . 0.0 108.891 173.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.444 ' C ' ' H ' ' A' ' 11' ' ' HIS . 8.4 p -164.28 18.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 122.127 0.965 . . . . 0.0 108.878 -172.683 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.3 m -77.16 21.68 0.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.744 -1.116 . . . . 0.0 110.961 -176.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.444 ' H ' ' C ' ' A' ' 9' ' ' VAL . 52.3 m80 58.37 13.94 2.68 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.892 -176.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.651 HG11 HD11 ' A' ' 62' ' ' LEU . 20.9 m 43.88 25.1 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 124.613 1.165 . . . . 0.0 114.065 179.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 67.6 25.21 73.97 Favored Glycine 0 C--N 1.333 0.401 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.465 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 76.6 t90 -92.42 134.16 35.2 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.241 0.544 . . . . 0.0 111.116 -177.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -113.89 135.12 22.02 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 174.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_endo -57.1 -25.0 61.37 Favored 'Trans proline' 0 N--CA 1.474 0.378 0 C-N-CA 123.516 2.81 . . . . 0.0 113.99 -175.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -104.46 -49.26 3.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.886 0.374 . . . . 0.0 111.504 -178.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.569 ' O ' ' HA ' ' A' ' 44' ' ' THR . 9.2 m120 -88.77 -5.92 57.75 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -173.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 78.88 -146.01 29.19 Favored Glycine 0 N--CA 1.443 -0.883 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.908 175.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.655 ' HB3' HD21 ' A' ' 25' ' ' LEU . 93.1 m-85 -80.86 125.3 29.94 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 -178.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -67.44 102.48 1.13 Allowed 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 176.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.625 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 16.9 m -63.55 -27.78 43.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -171.324 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -91.31 -5.55 54.47 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.77 -179.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -120.41 21.78 11.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.106 174.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.655 HD21 ' HB3' ' A' ' 20' ' ' PHE . 16.0 mt -70.03 138.8 52.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.594 -178.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.436 ' HB3' ' HG ' ' A' ' 29' ' ' LEU . 5.7 t70 -63.82 139.22 97.59 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.668 172.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -42.2 -49.88 5.73 Favored 'Trans proline' 0 C--O 1.237 0.43 0 C-N-CA 123.156 2.571 . . . . 0.0 113.621 -177.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -68.76 -39.63 80.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.701 -0.227 . . . . 0.0 110.562 -178.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.441 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 85.8 mt -62.49 -45.22 93.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.894 0.378 . . . . 0.0 110.164 177.179 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.1 tpt180 -57.26 -39.65 76.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.238 178.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.9 t -73.51 -48.18 35.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.517 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.533 HD13 HG23 ' B' ' 79' ' ' VAL . 47.0 tp -60.71 -56.98 14.77 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 112.751 0.648 . . . . 0.0 112.751 -173.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.441 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 13.7 m-30 -59.62 -34.47 72.81 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.334 -171.318 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.7 m -64.5 -41.93 96.14 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.92 174.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 33.8 mtp85 -64.8 -39.36 93.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.016 177.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.39 -13.81 62.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.854 -176.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.59 -15.07 58.9 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.63 -0.795 . . . . 0.0 111.602 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.568 HD13 ' CD1' ' A' ' 52' ' ' ILE . 12.4 mt -64.63 106.68 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 CA-C-O 120.989 0.423 . . . . 0.0 110.179 177.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.1 m -78.03 169.86 17.57 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.321 178.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -64.71 -26.44 68.37 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.849 0.357 . . . . 0.0 111.161 -175.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.62 -44.64 89.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.58 0.705 . . . . 0.0 110.023 172.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.583 ' HB3' HG21 ' A' ' 48' ' ' THR . 53.6 mt-30 -68.73 -27.92 66.36 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.762 178.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.439 HD13 HD11 ' A' ' 25' ' ' LEU . 51.5 mt -76.56 -13.98 60.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.918 176.105 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.569 ' HA ' ' O ' ' A' ' 18' ' ' ASN . 7.1 p -108.19 18.55 20.98 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.689 0.757 . . . . 0.0 109.674 173.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.577 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 27.0 t70 -90.58 157.09 17.69 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 114.796 -1.093 . . . . 0.0 110.346 175.145 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.28 -68.99 0.53 Allowed 'General case' 0 C--O 1.237 0.436 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 -177.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.402 ' CD ' HE22 ' B' ' 93' ' ' GLN . 1.7 pm0 -67.15 -38.9 86.3 Favored 'General case' 0 CA--C 1.519 -0.247 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.395 -175.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.665 ' O ' HG13 ' A' ' 52' ' ' ILE . 25.7 m -56.27 -60.27 3.75 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.178 -0.209 . . . . 0.0 111.325 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.2 m -62.56 -39.57 94.07 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -175.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -61.56 -39.57 91.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.088 0.47 . . . . 0.0 110.324 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.611 ' HA ' ' HB3' ' A' ' 54' ' ' ASP . 36.6 mt -83.41 -19.91 35.14 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.844 -177.235 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.665 HG13 ' O ' ' A' ' 48' ' ' THR . 61.4 mt -66.11 -42.5 91.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 166.353 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -65.21 -39.91 93.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.401 0.619 . . . . 0.0 109.525 176.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.611 ' HB3' ' HA ' ' A' ' 51' ' ' LEU . 18.9 t70 -61.85 -35.7 79.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.74 173.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.592 ' CZ ' HG12 ' B' ' 79' ' ' VAL . 33.6 t80 -63.94 -46.19 85.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.003 176.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.595 HG21 HD13 ' A' ' 62' ' ' LEU . 98.5 mt -61.15 -43.95 97.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.353 179.026 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -60.53 -44.4 96.12 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.758 172.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -54.81 -37.17 65.78 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.605 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 67.0 mm-40 -76.77 -17.72 58.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.624 179.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.12 3.62 13.01 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.491 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 122.89 -175.05 16.51 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.3 177.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.651 HD11 HG11 ' A' ' 12' ' ' VAL . 4.0 mm? -64.23 -38.58 91.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.962 0.41 . . . . 0.0 111.662 -175.193 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.551 ' O ' ' HG2' ' A' ' 67' ' ' GLN . 28.5 mm-40 -65.7 -35.01 79.55 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.412 -174.283 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.74 -39.31 93.41 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.319 0.581 . . . . 0.0 110.221 178.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.633 HG13 HG11 ' B' ' 79' ' ' VAL . 76.2 t -65.35 -44.47 94.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.305 -0.862 . . . . 0.0 110.507 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.437 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 91.0 mtt-85 -61.62 -30.9 71.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.838 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.551 ' HG2' ' O ' ' A' ' 63' ' ' GLU . 79.7 mm-40 -79.29 -43.59 23.34 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.168 -177.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.493 ' OE2' HG13 ' B' ' 79' ' ' VAL . 8.7 mt-10 -50.19 -36.41 30.43 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 123.022 0.202 . . . . 0.0 111.344 -179.407 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 32.1 mtt -52.37 -40.65 62.28 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.682 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -108.63 7.06 26.41 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.258 -176.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.466 ' HB3' ' HA ' ' A' ' 68' ' ' GLU . 9.0 tmm_? -114.05 -52.63 2.72 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -171.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.411 ' HB3' ' O ' ' A' ' 71' ' ' ARG . 32.5 tt0 . . . . . 0 C--O 1.246 0.903 0 O-C-N 124.235 0.96 . . . . 0.0 109.867 -173.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.732 0 N-CA-C 111.85 -0.5 . . . . 0.0 111.85 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -135.05 133.97 39.9 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.791 0.329 . . . . 0.0 110.267 -179.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' MET . . . . . . . . . . . . . 48.5 ttm -155.59 76.09 0.94 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.223 0.535 . . . . 0.0 109.893 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . 0.803 ' HB2' ' HB3' ' B' ' 81' ' ' GLN . 78.8 mt -123.14 138.45 29.87 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.085 -179.429 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' PRO . . . . . 0.409 ' HB3' HE21 ' A' ' 72' ' ' GLN . 89.0 Cg_endo -81.41 34.47 0.55 Allowed 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 122.746 2.297 . . . . 0.0 113.295 -171.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -165.33 -168.66 1.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.146 0.498 . . . . 0.0 111.929 -177.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.633 HG11 HG13 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -44.92 -37.67 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 114.475 -1.238 . . . . 0.0 112.693 174.455 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -49.97 -49.95 48.54 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -170.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' GLN . . . . . 0.803 ' HB3' ' HB2' ' B' ' 76' ' ' LEU . 20.0 pt20 -72.0 -33.23 67.93 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 121.342 0.592 . . . . 0.0 110.172 -177.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . 0.592 ' HG3' ' HE1' ' A' ' 55' ' ' PHE . 8.5 tpt180 -69.47 -21.08 63.73 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.086 -178.109 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 0.518 ' HG ' ' CE2' ' A' ' 55' ' ' PHE . 1.7 mt -74.35 -43.35 56.98 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.171 179.46 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 55.2 mtt -51.43 -45.07 62.51 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.531 -179.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . 0.407 ' O ' ' HG2' ' B' ' 89' ' ' GLU . 85.3 mm-40 -71.18 -39.54 71.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.31 -178.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . 0.492 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 39.8 t60 -66.58 -32.34 73.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 -174.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.466 HD22 ' O ' ' B' ' 83' ' ' LEU . 0.3 OUTLIER -78.54 -39.29 38.3 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.926 0.394 . . . . 0.0 110.367 174.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.65 -34.26 69.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.632 -178.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' B' ' 85' ' ' GLN . 31.7 mm-40 -61.2 -23.3 65.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.541 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -117.35 8.25 13.05 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -173.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 70.46 30.79 68.69 Favored Glycine 0 CA--C 1.521 0.446 0 C-N-CA 120.646 -0.788 . . . . 0.0 113.663 175.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . 0.539 HD11 HD12 ' A' ' 51' ' ' LEU . 1.5 mp -48.07 149.32 0.54 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 123.404 0.682 . . . . 0.0 112.203 174.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . 0.5 ' HB3' ' HB3' ' B' ' 97' ' ' ASN . 1.6 mp0 -85.1 129.93 54.1 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.858 178.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 94' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' B' ' 93' ' ' GLN . 24.0 Cg_exo -64.86 174.46 4.64 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 123.476 2.784 . . . . 0.0 111.236 173.01 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.25 66.66 0.3 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.43 0.633 . . . . 0.0 112.248 -177.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . 0.423 ' HD2' ' HA ' ' B' ' 96' ' ' ARG . 9.6 tpt180 -157.24 12.15 0.23 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.898 -1.046 . . . . 0.0 108.52 175.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 97' ' ' ASN . . . . . 0.5 ' HB3' ' HB3' ' B' ' 93' ' ' GLN . 11.9 p-10 -83.13 69.9 9.97 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.311 -1.313 . . . . 0.0 111.099 -175.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 98' ' ' MET . . . . . . . . . . . . . 26.4 ptm 43.91 85.64 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 121.714 0.768 . . . . 0.0 111.275 -176.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.14 -18.74 49.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.128 -0.942 . . . . 0.0 113.02 -171.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -52.31 -65.87 0.48 Allowed 'General case' 0 N--CA 1.464 0.245 0 O-C-N 123.168 0.293 . . . . 0.0 110.885 178.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 52.5 m170 52.73 52.73 13.41 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 177.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 14.2 tt -109.47 135.14 20.34 Favored Pre-proline 0 C--N 1.319 -0.742 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 173.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' PRO . . . . . 0.468 ' HA ' ' HD2' ' B' ' 104' ' ' PRO . 10.5 Cg_endo -54.25 120.8 8.58 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.917 2.411 . . . . 0.0 111.782 -179.191 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' PRO . . . . . 0.468 ' HD2' ' HA ' ' B' ' 103' ' ' PRO . 10.2 Cg_endo -51.12 113.18 0.99 Allowed 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 123.302 2.668 . . . . 0.0 112.059 -176.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' ALA . . . . . 0.412 ' HA ' ' HD3' ' B' ' 106' ' ' PRO . . . -84.71 132.96 44.87 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.28 -179.185 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' B' ' 105' ' ' ALA . 23.8 Cg_exo -65.02 -19.14 63.61 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 123.003 2.469 . . . . 0.0 111.566 177.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 73.43 -7.66 1.5 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.592 172.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 61.7 t90 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.878 -0.582 . . . . 0.0 109.834 -178.231 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.782 0 N-CA-C 112.198 -0.361 . . . . 0.0 112.198 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -88.0 63.2 7.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.064 0.459 . . . . 0.0 110.918 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 93.8 mmm -90.79 70.6 6.59 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.363 0.601 . . . . 0.0 110.017 178.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.5 p -88.17 88.72 7.73 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.708 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 129.51 -174.15 19.42 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.853 176.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -83.84 146.93 27.84 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.801 0.334 . . . . 0.0 110.713 178.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 46.4 tptt -82.49 90.0 6.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 112.062 -171.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.427 ' HB2' ' OE2' ' A' ' 63' ' ' GLU . 17.4 t-80 20.57 91.82 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.71 0 O-C-N 125.243 1.59 . . . . 0.0 114.849 166.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.9 p -163.77 -22.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.447 0.642 . . . . 0.0 109.849 174.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.1 -30.78 62.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.809 -1.087 . . . . 0.0 113.301 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 61.66 26.84 16.41 Favored 'General case' 0 N--CA 1.462 0.151 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -167.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.719 HG12 HD21 ' A' ' 62' ' ' LEU . 13.9 m 50.27 19.02 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 125.1 1.36 . . . . 0.0 114.093 177.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 65.58 23.7 70.62 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.481 -0.866 . . . . 0.0 111.788 -177.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.422 ' CD1' ' HA2' ' A' ' 19' ' ' GLY . 59.4 t90 -79.78 130.8 35.63 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.104 0.478 . . . . 0.0 110.782 -177.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -102.49 133.62 20.41 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.721 174.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -47.15 -32.08 13.13 Favored 'Trans proline' 0 CA--C 1.529 0.257 0 C-N-CA 124.293 3.329 . . . . 0.0 114.277 -177.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -105.18 -48.7 3.64 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -176.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.565 ' O ' ' HA ' ' A' ' 44' ' ' THR . 9.3 m120 -96.69 -1.3 46.87 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -173.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.422 ' HA2' ' CD1' ' A' ' 14' ' ' TRP . . . 72.52 -133.31 19.39 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.856 -0.687 . . . . 0.0 114.107 172.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.52 ' HB2' ' HB3' ' A' ' 43' ' ' LEU . 93.7 m-85 -83.42 144.85 29.33 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.128 0.49 . . . . 0.0 111.559 -172.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.46 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 18.2 t70 -81.68 111.64 18.13 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.147 173.293 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.672 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 29.7 m -88.24 -14.48 9.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -169.373 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -87.8 -19.96 26.78 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.433 -0.507 . . . . 0.0 109.914 176.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -126.22 52.56 1.7 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.371 0.605 . . . . 0.0 110.233 174.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.672 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 9.8 mt -80.23 135.19 36.2 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.866 178.408 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.56 ' HB3' HD12 ' A' ' 29' ' ' LEU . 1.8 t70 -58.9 132.79 86.86 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.713 177.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo -43.21 -52.72 4.68 Favored 'Trans proline' 0 C--O 1.238 0.486 0 C-N-CA 123.25 2.633 . . . . 0.0 113.757 -175.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -69.17 -43.52 74.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.616 -176.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.56 HD12 ' HB3' ' A' ' 26' ' ' ASP . 92.5 mt -61.0 -41.8 97.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.792 0.33 . . . . 0.0 110.574 177.278 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -59.13 -43.97 92.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.43 178.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.509 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 5.2 t -62.37 -49.38 75.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.75 177.534 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.588 HD13 HG23 ' B' ' 79' ' ' VAL . 14.3 tp -58.87 -61.07 2.9 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.164 -0.926 . . . . 0.0 112.305 -176.256 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.456 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 11.6 m-30 -60.3 -33.09 71.87 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.846 -171.272 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.9 t -65.63 -42.23 91.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.754 176.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.509 ' HG3' ' O ' ' A' ' 31' ' ' SER . 84.0 mtt180 -64.15 -33.22 75.29 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.424 0.63 . . . . 0.0 110.04 177.56 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.87 -7.87 56.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.007 -0.997 . . . . 0.0 112.263 -173.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.18 2.46 83.3 Favored Glycine 0 CA--C 1.511 -0.177 0 C-N-CA 120.422 -0.894 . . . . 0.0 112.158 178.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.782 HD11 HD13 ' B' ' 83' ' ' LEU . 19.2 mt -71.17 108.82 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.656 0 CA-C-O 120.893 0.377 . . . . 0.0 110.319 176.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.9 t -62.31 155.35 25.2 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.224 177.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -57.24 -32.89 67.01 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 176.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.635 ' HA ' ' ND1' ' B' ' 101' ' ' HIS . . . -68.33 -18.74 64.57 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 121.406 0.622 . . . . 0.0 111.12 179.005 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.747 ' HB3' HG21 ' A' ' 48' ' ' THR . 52.3 mt-30 -88.92 -25.72 21.94 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.225 -177.196 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.52 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . 98.2 mt -77.41 -7.01 55.45 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.407 174.243 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.565 ' HA ' ' O ' ' A' ' 18' ' ' ASN . 25.6 p -110.45 1.95 18.61 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.417 173.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.576 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 28.7 t70 -77.16 153.27 34.34 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.097 176.474 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.7 -60.72 2.14 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 111.569 0.211 . . . . 0.0 111.569 -177.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -79.78 -39.18 31.45 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.339 -0.544 . . . . 0.0 110.832 -172.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.747 HG21 ' HB3' ' A' ' 42' ' ' GLN . 25.9 m -53.67 -51.55 62.82 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 120.775 0.322 . . . . 0.0 110.921 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.3 m -62.01 -40.24 94.98 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.133 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -65.5 -41.98 92.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.829 -178.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.451 HD13 ' HA ' ' A' ' 51' ' ' LEU . 1.2 mm? -69.9 -33.56 72.36 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 121.086 -0.246 . . . . 0.0 111.412 178.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.607 ' CD1' HD13 ' A' ' 38' ' ' ILE . 96.4 mt -63.84 -45.71 96.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.795 0.331 . . . . 0.0 110.743 172.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -62.43 -45.3 93.72 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 177.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -59.21 -36.85 76.12 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.387 174.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.685 ' HE1' ' HG2' ' B' ' 82' ' ' ARG . 37.6 t80 -58.82 -49.09 79.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.594 174.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 76.7 mt -64.17 -45.9 95.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.181 178.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -57.94 -41.28 82.46 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.331 175.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -59.4 -33.93 71.82 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.06 -178.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.561 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 55.1 mm-40 -76.3 -18.99 58.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.134 -178.111 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.71 -3.74 14.94 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.94 -0.647 . . . . 0.0 111.582 -175.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 127.8 -165.76 20.72 Favored Glycine 0 N--CA 1.443 -0.845 0 C-N-CA 121.07 -0.586 . . . . 0.0 112.335 176.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.719 HD21 HG12 ' A' ' 12' ' ' VAL . 8.8 mp -70.83 -41.57 71.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.171 0.51 . . . . 0.0 111.046 -172.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.56 ' CD ' ' H ' ' A' ' 63' ' ' GLU . 1.5 mp0 -56.96 -33.66 67.27 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.564 -178.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.0 -46.84 64.28 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.555 -176.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.789 ' HB ' HG11 ' B' ' 79' ' ' VAL . 3.8 m -68.15 -28.67 41.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.764 0.316 . . . . 0.0 110.906 -175.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.471 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 64.7 mtt-85 -70.68 -21.57 62.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.254 0.55 . . . . 0.0 109.8 178.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.467 ' O ' ' HG2' ' A' ' 70' ' ' ARG . 43.9 mt-30 -86.0 -29.31 23.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.333 178.421 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.822 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 3.0 mm-40 -59.61 -32.84 70.78 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.056 0.455 . . . . 0.0 110.51 175.226 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.568 ' HA ' ' HB2' ' B' ' 78' ' ' ASP . 38.1 mtt -54.46 -23.8 17.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.232 -0.894 . . . . 0.0 111.356 176.146 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.467 ' HG2' ' O ' ' A' ' 67' ' ' GLN . 11.2 ptm180 -127.38 19.53 6.85 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.751 179.368 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.822 ' HB3' ' HA ' ' A' ' 68' ' ' GLU . 42.4 ttt180 -112.92 -81.57 0.59 Allowed 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.442 -175.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.444 ' HG2' ' HG2' ' A' ' 71' ' ' ARG . 16.1 mm100 . . . . . 0 C--O 1.253 1.272 0 CA-C-O 118.046 -0.978 . . . . 0.0 111.35 -176.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.769 0 N-CA-C 111.653 -0.579 . . . . 0.0 111.653 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -124.9 130.16 51.81 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 176.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' MET . . . . . 0.467 ' N ' ' HG3' ' B' ' 81' ' ' GLN . 2.0 mpt? -76.69 -12.28 59.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.623 178.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . 0.859 ' H ' ' HG3' ' B' ' 81' ' ' GLN . 76.0 mt -114.55 150.8 44.49 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.362 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -93.67 32.57 0.23 Allowed 'Trans proline' 0 N--CA 1.456 -0.684 0 C-N-CA 123.189 2.593 . . . . 0.0 113.769 -172.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' ASP . . . . . 0.568 ' HB2' ' HA ' ' A' ' 69' ' ' MET . 3.5 p30 -164.93 -168.38 1.43 Allowed 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.046 0.451 . . . . 0.0 111.819 176.328 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.789 HG11 ' HB ' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -47.79 -33.05 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-N 114.911 -1.041 . . . . 0.0 112.97 178.823 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -54.53 -45.51 73.4 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 -170.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' GLN . . . . . 0.859 ' HG3' ' H ' ' B' ' 76' ' ' LEU . 1.2 tm0? -67.66 -35.55 79.08 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.617 0.722 . . . . 0.0 109.962 179.039 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . 0.685 ' HG2' ' HE1' ' A' ' 55' ' ' PHE . 69.4 ttt180 -67.06 -26.01 66.53 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-N 114.805 -1.089 . . . . 0.0 110.174 -179.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 0.782 HD13 HD11 ' A' ' 38' ' ' ILE . 3.3 mt -69.53 -47.35 64.02 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.565 176.117 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 61.9 mtt -52.6 -43.45 65.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.513 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . 0.538 ' O ' ' HG3' ' B' ' 89' ' ' GLU . 13.4 mm-40 -64.15 -35.94 82.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.967 179.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . 0.563 ' HA ' ' OE2' ' B' ' 89' ' ' GLU . 36.4 t60 -77.0 -39.51 50.11 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.805 -172.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.565 HD22 ' O ' ' B' ' 83' ' ' LEU . 0.6 OUTLIER -68.89 -30.44 68.94 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 120.301 -0.56 . . . . 0.0 109.925 177.456 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.16 -22.94 63.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.213 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.563 ' OE2' ' HA ' ' B' ' 86' ' ' HIS . 43.7 mt-10 -70.03 -15.67 63.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.726 -179.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -123.49 -41.1 2.3 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -169.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 120.15 31.82 1.24 Allowed Glycine 0 CA--C 1.516 0.152 0 C-N-CA 119.988 -1.101 . . . . 0.0 113.114 178.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . 0.554 ' HB ' ' HB3' ' B' ' 87' ' ' LEU . 1.7 mp -51.85 143.07 3.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 C-N-CA 123.421 0.688 . . . . 0.0 112.25 178.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . 0.436 ' HA ' ' HD3' ' B' ' 94' ' ' PRO . 1.1 mp0 -84.23 115.9 62.38 Favored Pre-proline 0 C--O 1.232 0.183 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.74 -179.126 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 94' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' B' ' 93' ' ' GLN . 19.8 Cg_exo -69.41 111.17 2.66 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 123.175 2.583 . . . . 0.0 113.573 -178.399 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . 0.482 ' H ' ' CD ' ' A' ' 42' ' ' GLN . . . 50.94 16.91 0.38 Allowed 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 168.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 17.8 tpp180 -51.78 119.97 4.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.445 0.641 . . . . 0.0 111.28 173.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -86.03 74.13 10.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.781 -175.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 98' ' ' MET . . . . . . . . . . . . . 64.1 mtt -74.44 143.27 44.77 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.849 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . 58.61 27.28 15.53 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.045 176.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 48.07 65.51 1.29 Allowed 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.836 -175.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' HIS . . . . . 0.635 ' ND1' ' HA ' ' A' ' 41' ' ' ALA . 10.7 t-160 -77.58 59.92 2.04 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.539 0.685 . . . . 0.0 109.831 177.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 5.3 mp -138.2 124.76 13.07 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.327 -0.851 . . . . 0.0 108.816 177.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' PRO . . . . . 0.405 ' HA ' ' HD3' ' B' ' 104' ' ' PRO . 31.9 Cg_exo -59.3 116.83 3.55 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 122.274 1.982 . . . . 0.0 112.025 179.084 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' B' ' 103' ' ' PRO . 12.9 Cg_exo -70.79 129.61 16.78 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 123.107 2.538 . . . . 0.0 111.924 -179.57 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' ALA . . . . . 0.425 ' HA ' ' HD3' ' B' ' 106' ' ' PRO . . . -129.38 151.49 77.96 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.256 -177.504 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' B' ' 105' ' ' ALA . 7.4 Cg_exo -74.65 19.59 0.46 Allowed 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 123.161 2.574 . . . . 0.0 112.456 178.195 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -119.35 139.2 52.35 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 9.2 m-90 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.373 -0.822 . . . . 0.0 109.982 -177.486 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.748 0 N-CA-C 111.977 -0.449 . . . . 0.0 111.977 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 40.3 t-80 -77.31 -41.08 42.04 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 -179.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 51.2 ttm 64.02 93.57 0.06 Allowed 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.367 0.603 . . . . 0.0 111.595 176.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 66.3 m -154.27 85.58 1.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.771 176.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -106.19 176.2 21.7 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.222 -177.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -80.4 52.85 1.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.557 0.694 . . . . 0.0 110.459 -177.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -94.03 -46.66 7.04 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 174.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.55 ' HB3' ' HA3' ' A' ' 61' ' ' GLY . 11.5 p-80 -78.68 139.53 38.48 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.106 174.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.469 ' O ' HG12 ' A' ' 9' ' ' VAL . 21.9 t 69.03 30.42 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-O 122.554 1.168 . . . . 0.0 108.945 179.222 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.422 ' O ' ' HB2' ' A' ' 11' ' ' HIS . 9.1 t -104.41 22.99 13.91 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.602 -1.181 . . . . 0.0 109.012 177.058 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.422 ' HB2' ' O ' ' A' ' 10' ' ' SER . 48.0 m80 71.21 -14.47 0.46 Allowed 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.639 -175.106 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.854 HG22 HD11 ' A' ' 62' ' ' LEU . 22.0 t 62.18 -68.91 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 123.554 0.742 . . . . 0.0 111.971 -176.047 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 166.25 35.82 0.02 OUTLIER Glycine 0 N--CA 1.442 -0.906 0 N-CA-C 108.854 -1.698 . . . . 0.0 108.854 -176.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.663 ' CZ2' ' HA ' ' A' ' 16' ' ' PRO . 49.2 t90 -112.35 143.37 43.58 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 114.88 -0.66 . . . . 0.0 111.452 -171.552 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -113.48 131.75 22.83 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.57 175.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.663 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 19.8 Cg_endo -60.4 -22.3 70.85 Favored 'Trans proline' 0 N--CA 1.477 0.512 0 C-N-CA 123.563 2.842 . . . . 0.0 114.689 -172.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -103.68 -41.97 5.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.972 0.415 . . . . 0.0 111.066 -178.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -87.2 -82.58 0.21 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.697 -178.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.529 ' HA3' ' HA ' ' A' ' 44' ' ' THR . . . 164.11 -146.71 11.77 Favored Glycine 0 N--CA 1.443 -0.846 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.271 -178.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.493 ' HB2' ' HG ' ' A' ' 43' ' ' LEU . 72.2 m-85 -78.95 143.56 35.66 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.016 0.436 . . . . 0.0 111.025 -179.087 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -73.42 91.08 1.73 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.096 175.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.725 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 16.0 m -66.03 -19.15 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.282 -174.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -91.9 6.81 44.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.879 0.371 . . . . 0.0 110.818 178.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -134.75 20.76 3.55 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.798 172.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.725 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 14.4 mt -65.97 139.1 58.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.532 0.682 . . . . 0.0 112.08 -177.042 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -78.15 140.91 61.85 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.288 178.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -43.58 -47.07 9.74 Favored 'Trans proline' 0 C--O 1.238 0.517 0 C-N-CA 122.994 2.463 . . . . 0.0 113.355 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -69.84 -47.31 63.19 Favored 'General case' 0 CA--C 1.516 -0.339 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.773 -177.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.8 mp -50.26 -49.71 52.33 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.719 0.295 . . . . 0.0 110.966 172.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.459 ' HD3' ' O ' ' A' ' 30' ' ' ARG . 1.7 tmt_? -58.05 -41.42 83.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.327 -179.345 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.8 t -68.74 -49.02 62.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.189 0.518 . . . . 0.0 110.264 179.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.932 HD21 HG13 ' B' ' 79' ' ' VAL . 1.9 tm? -59.87 -56.86 16.5 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.531 -174.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.53 ' HA ' HD12 ' A' ' 38' ' ' ILE . 17.0 m-85 -60.65 -40.01 90.42 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.627 -177.329 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 36.8 t -63.94 -39.54 94.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.749 177.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -63.46 -39.46 94.53 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-O 121.144 0.497 . . . . 0.0 110.767 176.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.77 -18.36 62.12 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.413 -177.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 107.39 -4.92 35.27 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.385 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.615 HD13 HD13 ' A' ' 52' ' ' ILE . 7.0 mt -72.18 115.24 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 122.325 0.25 . . . . 0.0 110.61 178.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.465 ' HB3' ' OE2' ' B' ' 100' ' ' GLU . 7.4 t -91.32 178.76 5.88 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 176.272 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.422 ' HG3' HG11 ' A' ' 22' ' ' VAL . 36.2 tt0 -57.52 -47.65 81.39 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -172.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.541 ' O ' ' HE1' ' B' ' 101' ' ' HIS . . . -68.66 -42.9 77.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.746 0.308 . . . . 0.0 110.857 -179.512 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.713 ' HG2' HG21 ' A' ' 48' ' ' THR . 33.9 tt0 -57.2 -40.76 78.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.449 0.642 . . . . 0.0 109.788 175.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.493 ' HG ' ' HB2' ' A' ' 20' ' ' PHE . 34.9 tp -74.51 -2.35 25.33 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.221 -178.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.529 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 12.3 p -125.03 23.99 7.64 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.696 0.76 . . . . 0.0 109.949 174.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.653 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 27.2 t70 -86.13 142.36 28.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.357 172.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.84 -58.44 7.59 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -174.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -76.26 -41.0 50.4 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.623 -176.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.713 HG21 ' HG2' ' A' ' 42' ' ' GLN . 37.1 m -52.98 -55.8 20.78 Favored 'General case' 0 N--CA 1.457 -0.089 0 CA-C-O 120.54 0.21 . . . . 0.0 111.49 178.233 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.1 m -64.17 -42.39 96.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.798 0.332 . . . . 0.0 111.452 -176.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -60.95 -35.7 77.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.377 0.608 . . . . 0.0 110.158 -178.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.743 HD12 HD11 ' B' ' 92' ' ' ILE . 84.9 mt -86.24 -29.46 23.11 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.789 -177.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.615 HD13 HD13 ' A' ' 38' ' ' ILE . 45.5 mt -62.31 -47.83 91.23 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 C-N-CA 120.534 -0.467 . . . . 0.0 110.453 169.344 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.485 ' HE1' HG23 ' A' ' 12' ' ' VAL . 61.0 t80 -61.05 -43.73 98.44 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 177.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -55.89 -43.59 77.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.139 175.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.685 ' HE1' ' HG3' ' B' ' 82' ' ' ARG . 40.3 t80 -56.72 -55.08 38.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.282 175.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 52' ' ' ILE . 62.7 mt -59.18 -44.35 91.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.829 -176.164 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -64.55 -40.16 95.07 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.876 177.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -61.87 -38.68 89.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.15 178.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.551 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 34.1 mm-40 -66.8 -16.64 64.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.505 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.39 0.18 16.18 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.679 -0.772 . . . . 0.0 111.685 -177.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.55 ' HA3' ' HB3' ' A' ' 8' ' ' HIS . . . 123.48 -171.88 16.08 Favored Glycine 0 N--CA 1.441 -0.987 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.657 177.188 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.854 HD11 HG22 ' A' ' 12' ' ' VAL . 8.1 mp -71.16 -46.43 61.47 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.086 0.469 . . . . 0.0 110.271 -174.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -58.55 -32.12 68.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.376 -177.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.83 -53.82 44.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.945 -174.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.686 ' O ' ' HG3' ' A' ' 69' ' ' MET . 0.8 OUTLIER -69.33 -32.86 55.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 C-N-CA 120.522 -0.471 . . . . 0.0 109.918 -175.379 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 73.2 mtp180 -62.61 -28.68 70.06 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.38 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -82.22 -32.61 29.71 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.254 178.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.702 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 7.3 mt-10 -66.66 -28.85 68.79 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-O 120.871 0.367 . . . . 0.0 110.189 176.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.686 ' HG3' ' O ' ' A' ' 65' ' ' VAL . 66.9 mtp -61.8 -29.52 70.21 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.704 0.764 . . . . 0.0 109.587 175.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.2 mtp85 -103.07 14.79 31.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.9 -1.045 . . . . 0.0 108.895 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.702 ' HB3' ' HA ' ' A' ' 68' ' ' GLU . 33.5 ttm180 -133.49 -97.91 0.28 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.888 -1.051 . . . . 0.0 110.174 -175.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.415 ' HG2' ' HG2' ' A' ' 71' ' ' ARG . 10.6 pt20 . . . . . 0 C--O 1.251 1.135 0 C-N-CA 123.799 0.84 . . . . 0.0 108.869 -179.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.624 0 N-CA-C 111.756 -0.537 . . . . 0.0 111.756 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 74.4 m80 -131.51 104.37 6.94 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 178.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' MET . . . . . . . . . . . . . 23.3 mmt -70.35 -16.21 62.95 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.585 0.707 . . . . 0.0 110.156 179.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . 0.805 ' H ' ' HG3' ' B' ' 81' ' ' GLN . 10.3 tp -113.89 145.91 34.5 Favored Pre-proline 0 C--N 1.32 -0.687 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 176.482 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' PRO . . . . . 0.735 ' HD2' ' HG ' ' B' ' 76' ' ' LEU . 51.0 Cg_endo -90.63 48.42 0.79 Allowed 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 123.44 2.76 . . . . 0.0 111.631 -172.438 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -161.22 157.99 26.58 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.147 -167.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.932 HG13 HD21 ' A' ' 32' ' ' LEU . 2.5 p -58.74 -16.07 7.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.077 173.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.554 ' HB3' HD23 ' B' ' 76' ' ' LEU . . . -45.04 -56.37 4.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.944 170.012 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' GLN . . . . . 0.805 ' HG3' ' H ' ' B' ' 76' ' ' LEU . 0.0 OUTLIER -68.72 -28.9 67.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.057 0.456 . . . . 0.0 110.455 -178.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . 0.685 ' HG3' ' HE1' ' A' ' 55' ' ' PHE . 7.9 tpt180 -66.71 -33.9 76.66 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.721 178.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 0.614 HD13 ' CD2' ' A' ' 55' ' ' PHE . 22.1 tp -77.87 -38.39 46.08 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.499 177.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' MET . . . . . 0.485 ' HG3' ' O ' ' B' ' 80' ' ' ALA . 65.9 mtt -49.36 -48.76 46.47 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.296 0.57 . . . . 0.0 110.828 178.282 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . 0.58 ' O ' ' HG3' ' B' ' 89' ' ' GLU . 43.9 mt-30 -63.74 -39.85 95.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.941 -177.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . 0.597 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 58.8 t60 -66.09 -29.25 69.54 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.739 -173.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.443 ' O ' HD13 ' B' ' 92' ' ' ILE . 0.6 OUTLIER -80.15 -35.08 37.09 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.38 174.653 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.67 -22.63 66.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.819 -176.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.58 ' HG3' ' O ' ' B' ' 85' ' ' GLN . 39.2 mt-10 -63.01 -32.02 73.28 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.604 179.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 76.2 m-70 -101.83 -74.17 0.63 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -168.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 164.24 30.27 0.02 OUTLIER Glycine 0 N--CA 1.454 -0.16 0 C-N-CA 120.345 -0.931 . . . . 0.0 112.466 179.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . 0.743 HD11 HD12 ' A' ' 51' ' ' LEU . 1.7 mp -53.5 143.5 5.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 C-N-CA 123.371 0.668 . . . . 0.0 112.259 -177.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . 0.519 ' O ' ' HG3' ' A' ' 42' ' ' GLN . 1.1 mp0 -87.18 102.0 2.77 Favored Pre-proline 0 C--N 1.331 -0.232 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 176.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 94' ' ' PRO . . . . . 0.485 ' HD3' ' O ' ' B' ' 92' ' ' ILE . 93.9 Cg_endo -87.76 153.46 7.41 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 123.023 2.482 . . . . 0.0 113.891 -170.23 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.7 3.09 46.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.934 177.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -70.5 -44.52 67.47 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.211 -178.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 24.5 p-10 -103.04 20.69 17.1 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.883 177.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 98' ' ' MET . . . . . . . . . . . . . 25.8 mmt 56.16 42.55 28.07 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.378 179.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 99' ' ' ALA . . . . . 0.449 ' O ' ' HB3' ' B' ' 93' ' ' GLN . . . -105.34 32.4 4.28 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.962 -178.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . 0.465 ' OE2' ' HB3' ' A' ' 39' ' ' SER . 48.7 mt-10 -67.29 128.43 36.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.019 177.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' HIS . . . . . 0.541 ' HE1' ' O ' ' A' ' 41' ' ' ALA . 2.1 p-80 -52.92 126.47 20.45 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.343 179.242 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 70.2 mt -123.87 109.14 30.14 Favored Pre-proline 0 C--N 1.323 -0.567 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 177.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' B' ' 104' ' ' PRO . 79.0 Cg_endo -84.97 116.81 1.86 Allowed 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 122.507 2.138 . . . . 0.0 112.417 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' B' ' 103' ' ' PRO . 7.9 Cg_exo -73.28 166.51 29.74 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.915 2.41 . . . . 0.0 111.661 176.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' ALA . . . . . 0.407 ' HA ' ' HD3' ' B' ' 106' ' ' PRO . . . -93.57 113.91 61.53 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.531 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' B' ' 105' ' ' ALA . 16.6 Cg_exo -67.51 98.98 0.5 Allowed 'Trans proline' 0 C--O 1.236 0.39 0 C-N-CA 122.854 2.369 . . . . 0.0 111.987 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -110.43 178.03 4.51 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.439 178.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 72.3 t-105 . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.536 -0.745 . . . . 0.0 109.614 177.855 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.705 0 N-CA-C 112.076 -0.41 . . . . 0.0 112.076 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -142.17 107.82 5.1 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -89.37 150.77 22.4 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.58 -172.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 39.3 m 70.9 -62.74 0.44 Allowed 'General case' 0 N--CA 1.467 0.39 0 O-C-N 124.329 1.018 . . . . 0.0 112.462 176.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 91.55 -143.06 16.37 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 121.001 -0.618 . . . . 0.0 112.011 -178.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.617 ' CE2' ' HA ' ' A' ' 10' ' ' SER . 16.2 t80 -124.71 61.83 1.15 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.575 0.703 . . . . 0.0 109.288 179.551 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -92.38 144.86 24.95 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.479 -0.782 . . . . 0.0 112.162 -172.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.578 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 10.0 t-80 46.99 75.01 0.13 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 114.975 -1.011 . . . . 0.0 112.374 173.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.578 ' HB ' ' O ' ' A' ' 8' ' ' HIS . 7.1 p 158.83 -14.92 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 -175.529 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.617 ' HA ' ' CE2' ' A' ' 6' ' ' PHE . 5.3 t -62.16 -29.63 70.49 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 113.671 -1.604 . . . . 0.0 112.01 -177.232 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.496 ' O ' HG12 ' A' ' 12' ' ' VAL . 79.7 m-70 68.77 4.69 4.54 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.872 -170.07 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.616 HG21 HD11 ' A' ' 29' ' ' LEU . 6.6 p 59.61 -47.65 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 126.609 1.964 . . . . 0.0 114.459 176.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 159.75 38.77 0.02 OUTLIER Glycine 0 N--CA 1.443 -0.864 0 N-CA-C 110.487 -1.045 . . . . 0.0 110.487 -178.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.595 ' CZ2' ' HA ' ' A' ' 16' ' ' PRO . 49.2 t90 -121.43 133.31 55.07 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.205 -0.497 . . . . 0.0 110.976 -174.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.512 ' HB3' ' HB2' ' A' ' 18' ' ' ASN . 10.8 t70 -108.85 138.73 20.4 Favored Pre-proline 0 C--N 1.323 -0.57 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 173.408 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.595 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 1.2 Cg_endo -43.25 -51.5 5.71 Favored 'Trans proline' 0 CA--C 1.532 0.419 0 C-N-CA 124.214 3.276 . . . . 0.0 113.742 -173.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.403 ' HB2' HE21 ' A' ' 17' ' ' GLN . 1.0 OUTLIER -104.24 -31.09 9.76 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -177.627 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.512 ' HB2' ' HB3' ' A' ' 15' ' ' ASP . 44.2 m-80 -80.64 -16.31 54.37 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.824 0.345 . . . . 0.0 111.305 -175.34 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 83.26 -162.75 40.54 Favored Glycine 0 N--CA 1.442 -0.959 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.545 177.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.434 ' HB3' HD21 ' A' ' 25' ' ' LEU . 63.0 m-85 -74.08 141.06 45.7 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.122 0.487 . . . . 0.0 110.061 178.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.04 96.25 4.37 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 174.379 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.633 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 9.6 p -61.71 -17.76 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.261 0.553 . . . . 0.0 110.797 -179.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -84.05 -11.95 55.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.984 176.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -132.41 27.22 4.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.869 0.366 . . . . 0.0 110.875 -177.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.633 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 19.5 mt -71.36 135.98 47.57 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.155 0.502 . . . . 0.0 112.032 -176.249 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.407 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 6.1 t70 -59.42 130.71 87.67 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 114.922 -1.036 . . . . 0.0 109.691 172.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 26' ' ' ASP . 68.1 Cg_exo -51.62 -33.49 48.91 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 123.939 3.092 . . . . 0.0 113.817 -176.172 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.417 ' O ' ' HE1' ' A' ' 69' ' ' MET . 15.7 m-20 -79.9 -45.04 19.33 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.616 HD11 HG21 ' A' ' 12' ' ' VAL . 90.4 mt -60.76 -41.07 94.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.751 0.31 . . . . 0.0 110.863 176.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -60.6 -32.51 71.63 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.232 0.539 . . . . 0.0 109.957 179.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.4 t -74.97 -44.81 46.19 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.834 176.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.674 HD21 HG23 ' B' ' 79' ' ' VAL . 1.5 tm? -68.85 -54.98 12.6 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.936 -1.029 . . . . 0.0 112.14 -173.319 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.453 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 22.0 m-30 -53.72 -37.72 63.6 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.942 -178.06 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 46.1 t -61.92 -42.21 98.83 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.533 178.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 73.1 mtp85 -63.83 -35.72 81.55 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.178 0.513 . . . . 0.0 110.187 175.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.425 ' O ' ' HG2' ' B' ' 84' ' ' MET . . . -74.54 -5.07 40.7 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.14 -0.936 . . . . 0.0 112.056 -174.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.99 -3.57 82.75 Favored Glycine 0 CA--C 1.509 -0.304 0 C-N-CA 120.702 -0.761 . . . . 0.0 111.535 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.756 HD13 HD13 ' A' ' 52' ' ' ILE . 33.2 mt -72.55 108.3 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.808 0 CA-C-N 115.357 -0.421 . . . . 0.0 110.178 176.271 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.412 ' HB3' ' CB ' ' B' ' 95' ' ' ALA . 17.0 t -94.42 -178.71 4.67 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.695 177.13 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -58.17 -39.17 78.19 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.821 0.343 . . . . 0.0 111.577 -175.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.3 -43.38 96.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.775 0.322 . . . . 0.0 111.451 177.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.623 ' HG3' ' HB2' ' B' ' 95' ' ' ALA . 23.0 mt-30 -66.66 -34.58 78.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.642 -0.253 . . . . 0.0 111.184 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.632 HD13 HD11 ' A' ' 25' ' ' LEU . 53.0 mt -76.72 -8.0 56.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.81 0.338 . . . . 0.0 111.127 179.496 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.1 p -116.99 15.51 15.12 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.528 0.68 . . . . 0.0 109.679 175.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.599 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 31.5 t70 -90.77 156.92 17.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.395 178.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.14 -68.07 0.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.506 0.193 . . . . 0.0 111.504 -178.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -75.34 -35.81 61.13 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.973 -172.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.599 ' HB ' ' HB3' ' A' ' 45' ' ' ASP . 28.8 m -56.44 -60.04 4.1 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.277 178.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 14.5 m -58.02 -41.29 82.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.779 0.323 . . . . 0.0 111.109 -176.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.471 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 64.0 tttp -60.72 -40.82 93.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.659 -178.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.669 HD12 HD11 ' B' ' 92' ' ' ILE . 62.5 mt -84.39 -20.0 32.64 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.796 -177.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.756 HD13 HD13 ' A' ' 38' ' ' ILE . 59.7 mt -65.58 -47.1 87.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 CA-C-O 121.042 0.449 . . . . 0.0 109.82 167.03 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -63.71 -39.73 95.03 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 176.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.471 ' HB3' ' HA ' ' A' ' 51' ' ' LEU . 23.9 t70 -54.85 -40.79 70.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.161 173.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.668 ' CZ ' HG12 ' B' ' 79' ' ' VAL . 41.5 t80 -61.35 -50.53 72.56 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.3 -0.863 . . . . 0.0 111.161 176.28 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 52' ' ' ILE . 51.3 mt -64.66 -41.57 92.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.713 -176.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.405 ' OE2' ' NE2' ' A' ' 8' ' ' HIS . 7.8 tp10 -63.15 -38.72 92.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.794 176.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.429 ' HB3' ' O ' ' A' ' 55' ' ' PHE . 4.3 t70 -58.03 -41.2 82.72 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.417 177.575 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.609 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 64.8 mm-40 -69.5 -15.03 63.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.296 -176.044 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.48 -6.67 12.66 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.899 -0.667 . . . . 0.0 111.935 -177.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 128.74 -161.44 22.37 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.643 177.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.457 ' CD2' ' HB ' ' A' ' 12' ' ' VAL . 27.9 mt -74.32 -42.29 59.7 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.925 0.393 . . . . 0.0 110.934 -171.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.475 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 45.0 mt-10 -66.27 -25.08 66.7 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.898 -177.638 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.455 ' O ' ' HG2' ' A' ' 68' ' ' GLU . . . -65.63 -44.42 86.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.562 -177.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.505 HG13 HG11 ' B' ' 79' ' ' VAL . 97.3 t -64.9 -35.58 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.105 0.479 . . . . 0.0 110.656 -178.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -63.06 -29.79 71.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.754 176.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.475 ' HG3' ' O ' ' A' ' 63' ' ' GLU . 21.9 mt-30 -74.68 -41.51 60.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.477 179.194 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.55 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 4.3 mm-40 -59.64 -30.65 68.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.19 -177.407 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.417 ' HE1' ' O ' ' A' ' 28' ' ' ASP . 30.5 mtt -61.21 -27.1 68.18 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.393 178.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -118.41 21.63 12.54 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.378 0.609 . . . . 0.0 109.927 176.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.556 ' HD2' ' N ' ' A' ' 72' ' ' GLN . 2.6 tmm_? -132.75 -91.36 0.39 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.448 178.515 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.556 ' N ' ' HD2' ' A' ' 71' ' ' ARG . 8.9 pt20 . . . . . 0 C--O 1.252 1.215 0 C-N-CA 123.792 0.837 . . . . 0.0 109.251 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.736 0 N-CA-C 111.648 -0.581 . . . . 0.0 111.648 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . 0.985 ' HB3' ' HG3' ' B' ' 82' ' ' ARG . 71.6 m80 -138.62 41.94 2.17 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.21 0.529 . . . . 0.0 110.485 178.04 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' MET . . . . . . . . . . . . . 67.2 mtt -86.59 88.06 7.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.971 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . 0.972 HD13 ' HB3' ' B' ' 81' ' ' GLN . 35.3 mt -140.53 178.67 1.49 Allowed Pre-proline 0 C--N 1.324 -0.525 0 CA-C-O 118.341 -0.837 . . . . 0.0 109.012 177.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' PRO . . . . . 0.632 ' CD ' ' HB3' ' B' ' 76' ' ' LEU . 24.2 Cg_exo -63.53 -32.73 69.97 Favored 'Trans proline' 0 C--N 1.36 1.16 0 C-N-CA 121.725 1.617 . . . . 0.0 114.05 -164.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' ASP . . . . . 0.457 ' HA ' ' OXT' ' A' ' 72' ' ' GLN . 4.6 p-10 -164.76 -174.2 3.28 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.937 -178.533 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.674 HG23 HD21 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -49.48 -36.6 10.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.555 177.537 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.1 -64.96 0.65 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.616 0.722 . . . . 0.0 111.926 -178.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' GLN . . . . . 0.972 ' HB3' HD13 ' B' ' 76' ' ' LEU . 2.0 mp0 -72.21 -25.31 61.61 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.457 -176.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . 0.985 ' HG3' ' HB3' ' B' ' 74' ' ' HIS . 39.7 ttm180 -66.0 -32.74 74.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.411 0.624 . . . . 0.0 109.968 176.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 0.579 HD13 ' CD1' ' A' ' 38' ' ' ILE . 1.3 mt -71.47 -42.01 68.66 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.918 177.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' MET . . . . . 0.425 ' HG2' ' O ' ' A' ' 36' ' ' ALA . 58.2 mtt -49.54 -52.74 27.74 Favored 'General case' 0 CA--C 1.519 -0.222 0 O-C-N 123.677 0.61 . . . . 0.0 110.049 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . 0.724 ' OE1' ' HA ' ' B' ' 74' ' ' HIS . 95.9 mt-30 -58.83 -42.23 88.76 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.34 179.191 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . 0.728 ' HA ' ' OE2' ' B' ' 89' ' ' GLU . 33.2 t60 -70.27 -23.25 62.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.76 -171.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.474 ' HB3' ' HB ' ' B' ' 92' ' ' ILE . 0.2 OUTLIER -86.07 -42.65 13.75 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.068 173.719 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.83 -30.66 70.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.815 -177.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.728 ' OE2' ' HA ' ' B' ' 86' ' ' HIS . 13.6 pt-20 -68.91 -18.1 64.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.64 0.257 . . . . 0.0 111.686 -178.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 67.5 m-70 -103.82 -41.41 5.91 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -177.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 127.58 16.84 2.21 Favored Glycine 0 CA--C 1.516 0.156 0 C-N-CA 120.165 -1.017 . . . . 0.0 112.795 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . 0.669 HD11 HD12 ' A' ' 51' ' ' LEU . 1.7 mp -46.96 143.82 0.84 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.424 0 C-N-CA 123.585 0.754 . . . . 0.0 112.579 178.208 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -82.61 113.78 47.19 Favored Pre-proline 0 N--CA 1.453 -0.302 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.867 177.136 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 94' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.76 142.69 44.13 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.709 2.272 . . . . 0.0 112.819 -174.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . 0.623 ' HB2' ' HG3' ' A' ' 42' ' ' GLN . . . -101.98 5.24 40.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.055 177.631 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -57.31 -57.78 11.13 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 170.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 22.1 p-10 -121.13 137.04 54.85 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.85 -1.068 . . . . 0.0 108.635 170.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 98' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -76.09 71.41 2.84 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.761 0.315 . . . . 0.0 110.957 -177.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -75.12 -77.21 0.13 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.616 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -114.65 126.07 54.46 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.129 178.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -175.17 24.54 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 176.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 29.0 pt -131.53 141.02 40.21 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.303 -170.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -87.89 133.42 3.0 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 C-N-CA 122.82 2.346 . . . . 0.0 111.257 172.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_exo -51.43 116.24 2.58 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.795 2.33 . . . . 0.0 112.034 179.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -76.7 117.43 64.64 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.229 -177.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -61.95 130.91 32.68 Favored 'Trans proline' 0 C--O 1.235 0.354 0 C-N-CA 122.809 2.339 . . . . 0.0 111.699 178.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -148.5 -174.16 4.53 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.446 -178.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 10.5 m-90 . . . . . 0 C--O 1.252 1.232 0 CA-C-O 118.446 -0.788 . . . . 0.0 110.578 -176.826 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.594 0 N-CA-C 111.791 -0.523 . . . . 0.0 111.791 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 22.3 p-80 -161.39 129.3 4.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.882 0.372 . . . . 0.0 110.092 178.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.0 ptt? -129.5 1.14 5.03 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.994 0.426 . . . . 0.0 111.045 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.9 m -92.37 64.24 4.33 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.318 0.58 . . . . 0.0 109.75 175.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -86.69 -35.04 10.6 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.562 -174.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.578 ' CE2' ' HB3' ' A' ' 8' ' ' HIS . 47.7 t80 -88.33 106.12 18.02 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.898 0.38 . . . . 0.0 110.293 -179.178 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.751 ' HG2' ' HG2' ' A' ' 63' ' ' GLU . 21.6 tptm -88.55 80.15 7.43 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.294 0.568 . . . . 0.0 110.276 -177.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.578 ' HB3' ' CE2' ' A' ' 6' ' ' PHE . 20.9 t-80 -176.57 63.63 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.032 -0.986 . . . . 0.0 109.032 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 24.0 t -130.29 -21.73 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.151 -172.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.449 ' O ' ' HB2' ' A' ' 11' ' ' HIS . 29.9 p -63.21 -13.29 35.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.621 179.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.449 ' HB2' ' O ' ' A' ' 10' ' ' SER . 41.2 m80 69.14 2.48 3.65 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.499 -170.06 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.533 HG22 HD11 ' A' ' 62' ' ' LEU . 2.5 t 54.3 18.75 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 CA-C-N 114.789 -1.096 . . . . 0.0 112.634 176.272 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 64.61 22.32 67.83 Favored Glycine 0 CA--C 1.517 0.197 0 C-N-CA 120.9 -0.666 . . . . 0.0 112.23 -176.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.457 ' CH2' ' HA ' ' A' ' 16' ' ' PRO . 88.5 t90 -97.95 134.64 40.79 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.891 0.377 . . . . 0.0 110.754 -177.421 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.407 ' CG ' ' HD2' ' A' ' 16' ' ' PRO . 7.0 t70 -117.33 136.48 23.48 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.595 178.143 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.457 ' HA ' ' CH2' ' A' ' 14' ' ' TRP . 76.5 Cg_exo -29.15 -70.71 0.04 OUTLIER 'Trans proline' 0 CA--C 1.534 0.523 1 C-N-CA 125.59 4.193 . . . . 0.0 115.879 -173.053 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -103.42 -23.96 13.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.868 0.366 . . . . 0.0 111.206 -175.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -73.98 -30.77 62.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.788 0.328 . . . . 0.0 110.605 -177.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.67 -153.6 19.24 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.918 -0.658 . . . . 0.0 113.412 173.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -85.44 143.84 28.34 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.573 -0.313 . . . . 0.0 110.342 -179.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -71.71 85.22 0.91 Allowed 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 173.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.687 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 12.7 p -62.3 -24.76 35.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.679 -175.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.507 HD22 ' ND2' ' A' ' 24' ' ' ASN . 8.9 t30 -75.2 -36.18 61.45 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.094 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.507 ' ND2' HD22 ' A' ' 23' ' ' ASN . 40.6 m-80 -116.72 42.95 2.35 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.15 0.5 . . . . 0.0 110.389 179.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.687 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 5.6 mt -66.11 140.69 58.25 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.011 -179.155 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -58.45 131.05 84.94 Favored Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 173.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -47.94 -24.8 5.56 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 123.908 3.072 . . . . 0.0 114.504 -173.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.431 ' OD2' ' HG3' ' A' ' 69' ' ' MET . 10.9 t70 -84.94 -51.2 6.88 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 179.179 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.513 ' HG ' ' CZ ' ' A' ' 33' ' ' PHE . 9.5 mp -54.16 -44.36 71.39 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.961 0.41 . . . . 0.0 111.167 173.511 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.5 tpt180 -58.33 -24.84 60.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.732 178.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.7 t -90.05 -45.18 9.33 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.166 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.534 HD21 HG23 ' B' ' 79' ' ' VAL . 1.7 tm? -69.14 -54.28 15.74 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.416 -172.252 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.513 ' CZ ' ' HG ' ' A' ' 29' ' ' LEU . 21.5 m-30 -55.9 -36.78 68.04 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.639 -174.412 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.6 t -63.72 -32.41 73.89 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.483 177.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.464 HH11 ' HD2' ' A' ' 35' ' ' ARG . 23.7 mtp85 -74.81 -27.3 60.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.152 0.501 . . . . 0.0 110.46 177.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.447 ' HB1' ' HB3' ' B' ' 83' ' ' LEU . . . -83.61 -14.79 51.2 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.433 -175.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 107.73 -9.07 37.41 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.257 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.83 HD13 HD13 ' A' ' 52' ' ' ILE . 7.7 mt -73.31 119.03 19.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.821 0.343 . . . . 0.0 111.552 -177.357 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.539 ' HB3' ' HB2' ' B' ' 95' ' ' ALA . 39.5 t -95.85 177.18 5.85 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.089 174.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.519 ' HG2' HG21 ' A' ' 22' ' ' VAL . 87.3 mt-10 -50.03 -54.22 21.7 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.148 0.499 . . . . 0.0 111.729 -178.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.456 ' HB2' ' SD ' ' B' ' 98' ' ' MET . . . -56.71 -27.46 59.08 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.924 -173.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.615 ' HB3' HG21 ' A' ' 48' ' ' THR . 54.8 mt-30 -83.7 -30.4 26.79 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.263 -175.019 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.551 HD13 HD11 ' A' ' 25' ' ' LEU . 97.2 mt -73.42 -18.77 61.11 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.037 175.441 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 42.3 p -104.19 11.81 34.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.905 176.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.651 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 21.4 t70 -91.8 144.26 25.68 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.539 175.583 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.58 -69.41 0.21 Allowed 'General case' 0 C--O 1.239 0.529 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -172.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -71.26 -35.3 71.33 Favored 'General case' 0 CA--C 1.52 -0.179 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.243 -174.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.651 ' HB ' ' HB3' ' A' ' 45' ' ' ASP . 56.0 m -60.64 -50.53 73.15 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.919 -179.303 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.7 t -68.03 -44.74 75.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.294 -175.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -66.93 -31.75 72.55 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.984 -0.287 . . . . 0.0 111.092 -176.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.62 HD12 HD11 ' B' ' 92' ' ' ILE . 67.6 mt -76.14 -28.87 57.57 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.894 -0.322 . . . . 0.0 111.038 177.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.83 HD13 HD13 ' A' ' 38' ' ' ILE . 75.1 mt -69.19 -44.6 80.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 121.248 0.547 . . . . 0.0 110.337 170.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -61.44 -41.42 97.17 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.122 178.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -68.12 -29.24 68.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.923 176.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.909 ' HE1' ' HG3' ' B' ' 82' ' ' ARG . 20.1 t80 -63.76 -47.2 81.96 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.741 177.389 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.474 HD11 ' HZ ' ' A' ' 33' ' ' PHE . 58.5 mt -62.62 -35.9 72.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.437 0.637 . . . . 0.0 109.967 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -68.65 -47.35 66.79 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.978 175.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -52.4 -36.39 54.06 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.784 176.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -75.33 -11.86 60.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.606 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.76 -7.9 11.96 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.657 -0.782 . . . . 0.0 113.23 178.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 131.16 -171.08 21.16 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.441 -0.885 . . . . 0.0 112.399 178.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.533 HD11 HG22 ' A' ' 12' ' ' VAL . 84.8 mt -64.47 -48.4 75.39 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.633 0.217 . . . . 0.0 111.563 -174.523 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.751 ' HG2' ' HG2' ' A' ' 7' ' ' LYS . 26.9 mm-40 -60.37 -32.07 70.94 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.337 -177.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.87 -42.37 97.77 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.935 0.397 . . . . 0.0 111.369 -175.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.603 HG13 HG11 ' B' ' 79' ' ' VAL . 81.7 t -70.4 -41.21 78.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.379 0.609 . . . . 0.0 109.718 178.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 51.7 mtp180 -68.36 -22.08 64.68 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.516 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.572 ' HG3' ' O ' ' A' ' 63' ' ' GLU . 96.8 mt-30 -73.56 -44.01 58.43 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.323 174.48 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.854 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 23.9 mt-10 -63.87 -21.88 66.66 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.729 0.3 . . . . 0.0 111.59 -178.205 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.431 ' HG3' ' OD2' ' A' ' 28' ' ' ASP . 11.6 mmt -57.21 -27.58 62.11 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.824 171.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.1 mtp180 -116.17 -12.11 11.26 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.466 -178.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.854 ' HB3' ' HA ' ' A' ' 68' ' ' GLU . 32.4 ttt180 -69.26 -66.83 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.68 178.133 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 . . . . . 0 C--O 1.249 1.055 0 CA-C-N 115.142 -0.936 . . . . 0.0 109.987 -177.061 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.622 0 N-CA-C 111.583 -0.607 . . . . 0.0 111.583 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . 0.509 ' HB3' ' O ' ' B' ' 76' ' ' LEU . 79.9 m80 -127.49 98.33 5.19 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 175.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' MET . . . . . . . . . . . . . 26.0 ttt -61.64 -28.31 69.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.556 0.694 . . . . 0.0 109.853 177.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . 0.707 ' HB2' ' HB2' ' B' ' 81' ' ' GLN . 82.2 mt -109.22 135.26 20.25 Favored Pre-proline 0 C--N 1.317 -0.811 0 CA-C-N 114.838 -1.074 . . . . 0.0 108.582 171.226 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -81.58 -17.69 8.53 Favored 'Trans proline' 0 C--N 1.334 -0.221 0 C-N-CA 122.58 2.187 . . . . 0.0 113.523 -168.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -104.87 -167.51 1.36 Allowed 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.028 -172.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.603 HG11 HG13 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -48.57 -28.87 2.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.065 -0.97 . . . . 0.0 113.162 178.499 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.64 -62.58 1.54 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -177.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' GLN . . . . . 0.707 ' HB2' ' HB2' ' B' ' 76' ' ' LEU . 1.7 tm0? -71.85 -25.45 61.97 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.21 0.529 . . . . 0.0 110.709 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . 0.909 ' HG3' ' HE1' ' A' ' 55' ' ' PHE . 23.9 tpt180 -67.19 -26.95 66.88 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-O 121.522 0.677 . . . . 0.0 109.886 178.363 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 0.687 HD13 HD11 ' A' ' 38' ' ' ILE . 0.5 OUTLIER -81.46 -40.67 22.95 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.518 179.818 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 63.5 mtt -52.16 -55.49 20.63 Favored 'General case' 0 N--CA 1.465 0.293 0 O-C-N 123.675 0.61 . . . . 0.0 110.688 -179.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -62.7 -31.49 72.41 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.273 -178.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . 0.473 ' HA ' ' OE1' ' B' ' 89' ' ' GLU . 65.1 t60 -77.05 -17.64 58.64 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 -175.253 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.653 HD22 HG12 ' B' ' 92' ' ' ILE . 61.8 mt -94.52 -36.31 11.9 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.301 0.572 . . . . 0.0 110.227 174.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.53 -23.37 66.22 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.592 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.648 ' HG3' ' CD2' ' B' ' 90' ' ' HIS . 10.1 pt-20 -73.68 -9.12 58.34 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.266 -0.425 . . . . 0.0 112.089 -178.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . 0.648 ' CD2' ' HG3' ' B' ' 89' ' ' GLU . 97.9 m-70 -118.44 -76.23 0.57 Allowed 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.809 -178.424 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 163.18 36.55 0.02 OUTLIER Glycine 0 C--O 1.231 -0.072 0 C-N-CA 120.507 -0.854 . . . . 0.0 112.341 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . 0.653 HG12 HD22 ' B' ' 87' ' ' LEU . 1.7 mp -55.23 140.76 12.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 123.368 0.667 . . . . 0.0 112.434 -178.309 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . 0.439 ' HA ' ' HD3' ' B' ' 94' ' ' PRO . 24.6 mp0 -86.03 131.06 47.89 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.113 179.131 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 94' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' B' ' 93' ' ' GLN . 22.5 Cg_exo -64.98 170.67 9.98 Favored 'Trans proline' 0 N--CA 1.464 -0.265 0 C-N-CA 122.831 2.354 . . . . 0.0 111.389 174.258 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . 0.539 ' HB2' ' HB3' ' A' ' 39' ' ' SER . . . -75.26 66.84 1.8 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.177 0.513 . . . . 0.0 110.995 -178.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . 0.441 ' HA ' ' CZ ' ' B' ' 96' ' ' ARG . 3.9 mmp_? -107.76 1.01 22.65 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.13 -176.073 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -95.34 -78.21 0.46 Allowed 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.084 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 98' ' ' MET . . . . . 0.456 ' SD ' ' HB2' ' A' ' 41' ' ' ALA . 20.4 mmt 56.84 29.88 16.85 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 120.607 0.241 . . . . 0.0 111.513 179.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.34 -55.83 14.06 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.16 0.505 . . . . 0.0 111.048 -177.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -94.06 36.58 1.12 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.031 -179.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' HIS . . . . . 0.517 ' CE1' ' HB3' ' A' ' 40' ' ' GLU . 15.7 m-70 -127.37 153.98 45.54 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.911 -179.248 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 59.3 mt -134.0 82.74 47.99 Favored Pre-proline 0 C--N 1.322 -0.606 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 174.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' PRO . . . . . 0.426 ' HA ' ' HD3' ' B' ' 104' ' ' PRO . 74.3 Cg_endo -76.24 153.13 35.79 Favored 'Trans proline' 0 N--CA 1.464 -0.23 0 C-N-CA 122.742 2.295 . . . . 0.0 112.286 -178.569 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' B' ' 103' ' ' PRO . 28.1 Cg_exo -61.21 116.46 3.4 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.887 2.391 . . . . 0.0 112.017 179.206 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' ALA . . . . . 0.438 ' HA ' ' HD3' ' B' ' 106' ' ' PRO . . . -88.92 140.68 29.28 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.644 -178.067 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' B' ' 105' ' ' ALA . 16.7 Cg_exo -69.69 48.23 0.6 Allowed 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 123.556 2.837 . . . . 0.0 112.513 177.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -97.03 -25.44 15.36 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 176.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 72.9 t-105 . . . . . 0 C--O 1.25 1.114 0 CA-C-N 115.078 -0.964 . . . . 0.0 109.8 179.04 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.431 ' O ' ' HB2' ' A' ' 2' ' ' HIS . . . . . . . . 0 N--CA 1.483 1.829 0 N-CA-C 111.84 -0.504 . . . . 0.0 111.84 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.431 ' HB2' ' O ' ' A' ' 1' ' ' GLY . 50.6 m-70 72.13 -53.26 0.69 Allowed 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.257 0.623 . . . . 0.0 111.892 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 66.1 mtt -117.23 167.92 10.77 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.929 0.395 . . . . 0.0 111.132 -178.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 68.4 m -128.65 77.86 1.81 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.019 176.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -93.09 -86.13 1.58 Allowed Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.894 -0.669 . . . . 0.0 112.242 -179.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -79.39 73.48 6.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.744 0.783 . . . . 0.0 110.488 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.484 ' HG3' ' HG3' ' A' ' 63' ' ' GLU . 10.9 mmmm -99.3 40.26 1.23 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.782 178.424 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.3 t-160 -117.85 69.0 0.77 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.898 -177.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.0 m -133.28 -24.6 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.144 -176.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.458 ' C ' ' H ' ' A' ' 12' ' ' VAL . 2.3 m -70.12 -3.01 14.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.245 -178.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.518 ' O ' HG12 ' A' ' 12' ' ' VAL . 68.5 m80 70.54 -6.05 1.28 Allowed 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.393 0.677 . . . . 0.0 110.32 -174.369 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.518 HG12 ' O ' ' A' ' 11' ' ' HIS . 0.3 OUTLIER 62.21 -38.77 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 125.444 1.498 . . . . 0.0 113.722 -177.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 128.77 31.81 0.63 Allowed Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.319 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.433 ' HB2' ' CE1' ' A' ' 20' ' ' PHE . 76.4 t90 -116.23 132.45 56.66 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.614 0.245 . . . . 0.0 110.437 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.729 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . 1.1 t70 -114.29 140.17 24.74 Favored Pre-proline 0 C--N 1.322 -0.599 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 176.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_exo -33.78 -62.16 0.19 Allowed 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 124.567 3.511 . . . . 0.0 115.028 -174.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -104.38 -30.23 10.23 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 -177.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.729 ' HB3' ' HB3' ' A' ' 15' ' ' ASP . 28.6 t-20 -66.25 -34.8 78.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.775 0.321 . . . . 0.0 110.902 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 91.53 -165.23 29.72 Favored Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 115.987 -0.551 . . . . 0.0 112.45 178.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.573 ' CD2' HD12 ' A' ' 43' ' ' LEU . 97.9 m-85 -73.21 122.53 22.06 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 174.366 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -74.42 119.49 18.69 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 119.997 -0.681 . . . . 0.0 110.079 -178.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.673 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 18.0 m -72.69 -12.67 15.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.951 -172.193 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -78.42 -31.56 48.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.919 0.39 . . . . 0.0 110.145 -178.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -120.11 30.13 7.16 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.314 -177.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.673 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 23.2 mt -65.92 117.61 8.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.358 175.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -54.59 134.68 63.72 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.862 175.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -49.27 -28.39 14.9 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 123.982 3.121 . . . . 0.0 114.24 -177.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -76.27 -44.65 36.25 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 177.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.508 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 89.3 mt -62.52 -47.66 82.95 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.113 176.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -55.79 -40.63 72.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.106 178.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.0 t -63.0 -54.15 42.78 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.34 178.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.402 ' CD1' HG13 ' B' ' 79' ' ' VAL . 57.4 tp -62.49 -49.49 75.15 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.415 -173.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.508 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 16.8 m-30 -64.79 -47.76 76.95 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.324 -170.367 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.6 m -67.66 -23.88 65.37 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.295 0.569 . . . . 0.0 110.708 177.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.7 ttt85 -80.13 -15.58 56.79 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.932 175.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -107.86 18.76 20.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.605 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.3 -17.72 17.31 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 121.091 -0.576 . . . . 0.0 113.328 175.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.584 HD13 ' CD1' ' A' ' 52' ' ' ILE . 40.4 mt -65.09 105.14 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.135 0.493 . . . . 0.0 111.124 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.52 ' HB3' ' HB3' ' B' ' 95' ' ' ALA . 33.4 t -77.65 169.59 18.04 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.568 174.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.522 ' HB3' ' CE1' ' B' ' 101' ' ' HIS . 40.7 mt-10 -52.87 -44.54 66.92 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 -177.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.19 -24.88 60.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.268 -177.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.622 ' HB3' HG21 ' A' ' 48' ' ' THR . 47.3 mt-30 -82.27 -30.93 30.34 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.095 -176.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.573 HD12 ' CD2' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -66.13 -28.78 69.06 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.426 -0.51 . . . . 0.0 109.741 172.322 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.7 p -97.62 11.74 35.96 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.787 178.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.661 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 23.3 t70 -91.85 137.5 32.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.918 176.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.3 -68.66 0.19 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -171.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.0 pm0 -69.34 -39.93 77.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.191 -176.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.773 ' HA ' HG13 ' B' ' 92' ' ' ILE . 56.2 m -56.63 -52.51 64.61 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -177.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.402 ' HA ' HD12 ' A' ' 52' ' ' ILE . 88.1 p -66.14 -38.32 87.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.838 0.352 . . . . 0.0 111.183 -176.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -63.15 -39.28 94.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.44 -176.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.726 HD23 HD11 ' B' ' 92' ' ' ILE . 1.0 OUTLIER -74.43 -29.24 61.41 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.365 -0.534 . . . . 0.0 111.604 178.917 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.584 ' CD1' HD13 ' A' ' 38' ' ' ILE . 71.1 mt -63.38 -44.88 99.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.978 0.418 . . . . 0.0 110.172 171.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -61.24 -43.23 99.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.892 178.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -62.3 -41.51 98.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.19 -0.913 . . . . 0.0 110.701 175.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.558 ' CD2' HD13 ' B' ' 83' ' ' LEU . 59.3 t80 -56.45 -51.52 68.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.563 178.026 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.559 ' CG2' ' HA ' ' A' ' 62' ' ' LEU . 74.5 mt -61.13 -38.89 80.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.611 -177.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -66.44 -43.32 85.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.397 177.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -57.6 -31.2 65.98 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.972 -177.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.53 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 51.4 mm-40 -83.06 -1.9 53.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.824 0.345 . . . . 0.0 111.183 -176.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.61 -17.59 10.2 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.484 -0.865 . . . . 0.0 112.678 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 145.04 -177.63 23.35 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.243 -0.98 . . . . 0.0 113.317 177.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.559 ' HA ' ' CG2' ' A' ' 56' ' ' ILE . 72.8 mt -60.45 -36.59 78.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.389 -0.406 . . . . 0.0 111.489 -175.333 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.484 ' HG3' ' HG3' ' A' ' 7' ' ' LYS . 5.3 mm-40 -77.13 -18.56 57.81 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.105 -176.402 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.442 ' O ' ' HG3' ' A' ' 68' ' ' GLU . . . -64.08 -58.31 7.05 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 -173.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.769 ' HB ' HG21 ' B' ' 79' ' ' VAL . 3.0 m -74.8 -22.48 17.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.888 0.851 . . . . 0.0 109.383 -176.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 54.2 ttt180 -67.49 -28.92 68.24 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.154 -1.384 . . . . 0.0 109.701 177.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -87.86 -28.58 21.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.979 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.699 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 21.3 mt-10 -62.06 -19.55 63.04 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 120.608 0.242 . . . . 0.0 111.521 -176.458 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 49.1 mtt -61.59 -32.26 72.35 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.235 0.54 . . . . 0.0 110.725 175.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.65 6.02 16.74 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.655 -179.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.699 ' HB3' ' HA ' ' A' ' 68' ' ' GLU . 32.2 ttt-85 -96.26 -58.26 2.12 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.326 -177.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.438 ' OE1' ' HD3' ' A' ' 71' ' ' ARG . 1.1 mp0 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.579 -0.724 . . . . 0.0 109.555 172.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.839 0 N-CA-C 112.422 -0.271 . . . . 0.0 112.422 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 44.6 p-80 -87.7 90.12 8.25 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.628 0.728 . . . . 0.0 110.473 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' MET . . . . . . . . . . . . . 22.4 ptt? -126.97 79.08 1.85 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.838 0.828 . . . . 0.0 110.79 -176.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . 0.823 ' H ' ' HB3' ' B' ' 81' ' ' GLN . 4.5 mm? -99.55 149.21 35.67 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.758 176.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' PRO . . . . . 0.411 ' O ' ' HB3' ' A' ' 72' ' ' GLN . 96.8 Cg_endo -81.29 15.18 1.94 Allowed 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.873 2.382 . . . . 0.0 111.68 178.244 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -151.53 -167.38 2.78 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.071 -174.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.769 HG21 ' HB ' ' A' ' 65' ' ' VAL . 2.4 p -59.04 -28.41 38.69 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -177.208 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.61 ' HB3' ' HG ' ' B' ' 76' ' ' LEU . . . -50.86 -37.46 43.41 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 113.296 0.85 . . . . 0.0 113.296 -174.452 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' GLN . . . . . 0.823 ' HB3' ' H ' ' B' ' 76' ' ' LEU . 3.3 pt20 -69.86 -35.39 74.66 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.862 -177.125 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . 0.515 ' N ' ' HG3' ' B' ' 81' ' ' GLN . 34.8 ttm180 -68.49 -18.42 64.39 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.608 0.718 . . . . 0.0 110.134 -177.241 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 0.558 HD13 ' CD2' ' A' ' 55' ' ' PHE . 32.7 tp -83.35 -44.37 14.93 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.052 -0.977 . . . . 0.0 110.924 -176.201 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 51.9 mtm -60.42 -37.33 80.56 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.909 0.385 . . . . 0.0 110.731 178.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . 0.484 ' O ' ' HG2' ' B' ' 89' ' ' GLU . 3.0 tt0 -71.96 -39.13 69.58 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.33 179.038 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . 0.552 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 46.8 t60 -63.19 -29.14 70.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.733 179.494 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.779 HD22 HG12 ' B' ' 92' ' ' ILE . 64.1 mt -86.32 -47.3 9.5 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.846 179.469 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.02 -38.95 54.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.513 -0.767 . . . . 0.0 112.103 -178.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' B' ' 85' ' ' GLN . 6.2 mm-40 -60.84 -29.12 69.31 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -102.43 2.08 36.09 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.4 0.518 . . . . 0.0 112.4 -172.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 83.55 29.58 32.35 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 120.541 -0.838 . . . . 0.0 113.514 175.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . 0.779 HG12 HD22 ' B' ' 87' ' ' LEU . 1.6 mp -59.51 141.77 15.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.785 0.326 . . . . 0.0 111.499 174.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . 0.603 HE21 ' HA ' ' B' ' 93' ' ' GLN . 0.1 OUTLIER -93.6 112.95 58.92 Favored Pre-proline 0 CA--C 1.532 0.273 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.254 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 94' ' ' PRO . . . . . 0.518 ' HA ' ' NE2' ' A' ' 42' ' ' GLN . 59.9 Cg_endo -74.16 143.66 32.42 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.42 2.08 . . . . 0.0 112.522 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . 0.52 ' HB3' ' HB3' ' A' ' 39' ' ' SER . . . -106.0 -4.21 20.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.803 179.545 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 62.57 -83.15 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.273 -178.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -150.65 22.89 0.8 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.314 0.578 . . . . 0.0 110.361 179.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 98' ' ' MET . . . . . . . . . . . . . 24.1 mmt -81.54 113.57 19.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.955 177.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -98.53 -173.02 2.44 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.215 -177.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . 0.42 ' HB3' HG13 ' B' ' 102' ' ' ILE . 2.9 mp0 70.4 166.31 0.29 Allowed 'General case' 0 N--CA 1.463 0.222 0 O-C-N 124.064 0.852 . . . . 0.0 111.738 -177.033 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' HIS . . . . . 0.589 ' NE2' HG21 ' A' ' 22' ' ' VAL . 34.1 m-70 -135.87 33.7 2.91 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.135 -177.426 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' ILE . . . . . 0.42 HG13 ' HB3' ' B' ' 100' ' ' GLU . 71.1 mt -72.05 118.25 65.41 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 114.931 -1.032 . . . . 0.0 112.085 -172.574 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -90.01 116.21 0.62 Allowed 'Trans proline' 0 N--CA 1.45 -1.054 0 C-N-CA 123.188 2.592 . . . . 0.0 110.415 169.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -91.15 135.78 1.88 Allowed 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 122.736 2.291 . . . . 0.0 113.488 -174.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -86.29 120.38 72.22 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 173.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -75.6 52.8 3.39 Favored 'Trans proline' 0 CA--C 1.531 0.339 0 C-N-CA 123.011 2.474 . . . . 0.0 113.902 -173.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 60.71 96.83 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.231 0.612 . . . . 0.0 111.339 175.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 63.2 p-90 . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.939 -0.553 . . . . 0.0 110.39 178.787 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.848 0 N-CA-C 111.585 -0.606 . . . . 0.0 111.585 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 43.8 p-80 -129.81 124.14 32.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.209 0.528 . . . . 0.0 111.104 -178.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 66.6 mtm -135.01 80.16 1.83 Allowed 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 171.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 45.8 m -71.74 84.49 0.9 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.509 -0.769 . . . . 0.0 112.03 -174.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -100.27 -148.77 22.89 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 171.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -111.7 -166.61 1.09 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.775 0.288 . . . . 0.0 110.861 178.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.64 ' HB3' ' HA3' ' A' ' 61' ' ' GLY . 55.0 mttp -65.24 -18.77 65.58 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -171.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.746 ' HD2' HG23 ' A' ' 9' ' ' VAL . 26.2 p-80 -140.72 169.92 16.73 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 176.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.746 HG23 ' HD2' ' A' ' 8' ' ' HIS . 42.8 t 81.67 -37.98 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 N-CA-C 109.001 -0.741 . . . . 0.0 109.001 -178.186 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.0 m -48.63 124.71 8.72 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 163.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 68.3 m80 -59.13 90.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.347 0.594 . . . . 0.0 112.375 -170.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.784 HG22 HD11 ' A' ' 62' ' ' LEU . 20.7 t -53.52 -34.57 23.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 114.737 -1.119 . . . . 0.0 111.768 176.124 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 112.24 36.54 1.61 Allowed Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 110.202 -1.159 . . . . 0.0 110.202 -170.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.573 ' CZ2' ' HA ' ' A' ' 16' ' ' PRO . 55.0 t90 -126.7 129.41 48.37 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.462 -0.369 . . . . 0.0 110.536 -176.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.621 ' HB2' ' HB3' ' A' ' 18' ' ' ASN . 24.1 m-20 -107.88 129.18 24.5 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.615 174.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.573 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 51.2 Cg_exo -54.37 -24.58 35.64 Favored 'Trans proline' 0 N--CA 1.475 0.438 0 C-N-CA 123.835 3.023 . . . . 0.0 114.149 -174.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -104.11 -38.5 6.9 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.989 0.423 . . . . 0.0 111.341 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.621 ' HB3' ' HB2' ' A' ' 15' ' ' ASP . 9.0 t30 -86.65 -35.37 19.39 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.844 -172.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.16 -165.94 12.58 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.37 -178.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.478 ' HE2' ' HB ' ' A' ' 52' ' ' ILE . 63.3 m-85 -74.82 147.11 41.47 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.79 0.329 . . . . 0.0 110.484 178.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -76.53 94.96 3.79 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 174.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.689 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 7.3 p -67.51 -23.96 30.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.165 -0.47 . . . . 0.0 112.093 -170.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -90.34 -5.36 56.32 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.848 0.356 . . . . 0.0 111.056 178.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -121.73 25.08 9.44 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.1 0.476 . . . . 0.0 110.267 172.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.689 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 11.3 mt -66.12 121.62 15.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.432 -179.459 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -56.38 127.95 72.56 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.58 -0.737 . . . . 0.0 109.675 172.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.432 ' O ' ' HB2' ' A' ' 30' ' ' ARG . 65.8 Cg_exo -51.76 -30.98 39.84 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 124.007 3.138 . . . . 0.0 113.766 -175.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.1 -42.92 65.56 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 178.295 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.551 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 82.5 mt -62.96 -40.56 98.05 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.486 174.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.432 ' HB2' ' O ' ' A' ' 27' ' ' PRO . 74.2 mtt180 -51.32 -50.26 59.74 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.21 174.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.1 t -58.59 -49.05 78.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.01 -0.996 . . . . 0.0 110.655 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.614 HD13 HG13 ' B' ' 79' ' ' VAL . 49.2 tp -65.95 -52.03 53.28 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.294 -173.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.551 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 19.6 m-30 -63.45 -41.51 98.64 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.243 -171.38 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.1 t -62.36 -36.72 83.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.302 0.573 . . . . 0.0 110.294 177.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.8 mtt180 -69.23 -36.07 76.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.896 175.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.01 0.03 29.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.567 -176.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.52 -11.08 71.16 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 121.051 -0.595 . . . . 0.0 111.911 177.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.756 HD13 HD13 ' A' ' 52' ' ' ILE . 41.5 mt -65.16 119.73 10.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 C-N-CA 122.953 0.501 . . . . 0.0 110.869 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.477 ' HB3' ' CB ' ' B' ' 95' ' ' ALA . 44.0 t -99.38 174.9 6.06 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.122 177.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.506 ' HG3' HG21 ' A' ' 22' ' ' VAL . 47.1 tt0 -49.29 -42.15 40.3 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.126 0.489 . . . . 0.0 110.923 178.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.626 ' HB1' HG12 ' B' ' 102' ' ' ILE . . . -57.9 -52.82 63.93 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.172 -179.038 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.672 ' HG3' ' HB2' ' B' ' 95' ' ' ALA . 46.4 mt-30 -59.45 -36.82 76.68 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.887 -178.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.62 HD13 HD11 ' A' ' 25' ' ' LEU . 93.5 mt -68.29 -20.87 64.8 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.794 178.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.8 p -110.66 18.16 19.95 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.471 0.653 . . . . 0.0 110.03 177.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -95.79 138.62 33.18 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.938 175.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.26 -65.79 0.59 Allowed 'General case' 0 C--N 1.318 -0.795 0 O-C-N 123.501 0.501 . . . . 0.0 111.609 -174.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.434 ' H ' ' CD ' ' A' ' 47' ' ' GLU . 0.8 OUTLIER -65.86 -41.13 92.05 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.902 -175.905 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.668 HG21 ' HB3' ' A' ' 42' ' ' GLN . 17.5 m -59.61 -58.02 10.42 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -178.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 92.5 p -62.87 -34.67 77.86 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.792 0.33 . . . . 0.0 110.581 -176.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.534 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 88.6 tttt -57.39 -44.42 84.49 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.199 176.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.8 HD23 HD11 ' B' ' 92' ' ' ILE . 1.7 mm? -75.54 -35.84 60.61 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 179.476 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.756 HD13 HD13 ' A' ' 38' ' ' ILE . 43.9 mt -59.08 -49.8 82.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.824 177.039 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -66.0 -39.64 90.48 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.546 -0.461 . . . . 0.0 110.132 177.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.405 ' HB3' ' HA ' ' A' ' 51' ' ' LEU . 17.7 t70 -56.41 -38.8 72.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.306 176.141 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.62 ' HB2' ' CD2' ' B' ' 86' ' ' HIS . 48.0 t80 -62.58 -50.93 69.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.869 175.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 72.3 mt -62.12 -40.74 88.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.632 -178.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.403 ' HG3' ' CG ' ' A' ' 8' ' ' HIS . 23.7 tt0 -68.39 -35.02 77.07 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.607 178.012 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -63.3 -32.07 73.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.256 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 49.2 mm-40 -81.31 -6.12 58.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.149 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.76 -28.16 6.84 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.001 -178.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.64 ' HA3' ' HB3' ' A' ' 7' ' ' LYS . . . 152.37 -172.05 31.58 Favored Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 120.453 -0.88 . . . . 0.0 112.818 177.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.784 HD11 HG22 ' A' ' 12' ' ' VAL . 8.6 mp -56.82 -54.92 40.92 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 122.788 0.435 . . . . 0.0 111.833 -175.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.685 ' HA ' ' HD3' ' A' ' 66' ' ' ARG . 32.4 mt-10 -63.4 -24.39 67.82 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.134 -175.198 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.91 -49.32 73.14 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.602 -177.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.975 ' HA ' ' HG3' ' A' ' 68' ' ' GLU . 4.1 m -72.48 -21.55 20.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.225 0 CA-C-O 121.269 0.557 . . . . 0.0 110.409 -178.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.685 ' HD3' ' HA ' ' A' ' 63' ' ' GLU . 73.8 mtp180 -73.21 -26.0 60.97 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.716 177.346 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.5 ' HG3' ' O ' ' A' ' 63' ' ' GLU . 27.3 mt-30 -81.34 -27.31 35.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.71 176.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.975 ' HG3' ' HA ' ' A' ' 65' ' ' VAL . 6.2 mt-10 -64.4 -24.19 67.55 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 175.236 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.431 ' HB2' ' O ' ' A' ' 66' ' ' ARG . 38.1 mtt -61.19 -33.4 73.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.843 174.329 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -109.46 21.32 17.18 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.301 0.572 . . . . 0.0 109.805 178.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.656 ' HB3' ' HA ' ' A' ' 68' ' ' GLU . 8.2 tmm_? -129.4 -78.68 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.36 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.468 ' HB2' ' O ' ' A' ' 71' ' ' ARG . 58.8 tp60 . . . . . 0 C--O 1.251 1.17 0 CA-C-O 117.996 -1.002 . . . . 0.0 108.685 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.866 0 N-CA-C 111.721 -0.552 . . . . 0.0 111.721 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . 1.019 ' HB2' ' HB2' ' B' ' 81' ' ' GLN . 37.0 m-70 -136.24 173.42 11.73 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 177.128 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' MET . . . . . 0.494 ' C ' HD22 ' B' ' 76' ' ' LEU . 53.1 mtm -80.22 26.6 0.35 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -172.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . 0.542 ' HB2' ' HB3' ' B' ' 81' ' ' GLN . 3.8 mm? -126.86 124.36 24.0 Favored Pre-proline 0 C--N 1.328 -0.368 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 -179.447 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -83.92 20.65 1.16 Allowed 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 122.973 2.449 . . . . 0.0 112.335 -178.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -143.59 -169.65 3.12 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.559 -175.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.614 HG13 HD13 ' A' ' 32' ' ' LEU . 2.6 p -54.63 -17.41 2.13 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 CA-C-N 115.498 -0.773 . . . . 0.0 112.577 178.553 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.84 -38.69 89.15 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -177.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' GLN . . . . . 1.019 ' HB2' ' HB2' ' B' ' 74' ' ' HIS . 6.4 pt20 -71.56 -23.88 61.83 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-O 121.707 0.765 . . . . 0.0 109.484 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . 0.42 ' HG2' ' HE1' ' A' ' 55' ' ' PHE . 64.7 ttt180 -78.21 -15.79 58.47 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.504 -1.226 . . . . 0.0 110.112 -177.73 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 0.559 HD13 ' CD1' ' A' ' 38' ' ' ILE . 0.5 OUTLIER -82.43 -40.99 20.44 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.434 -179.813 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 59.6 mtt -57.94 -41.19 82.29 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.003 177.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -60.74 -33.33 72.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.038 178.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . 0.62 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 46.8 t60 -84.02 -18.26 37.7 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.885 -172.102 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.604 HD12 HG13 ' B' ' 92' ' ' ILE . 0.3 OUTLIER -89.56 -37.8 14.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.136 0.493 . . . . 0.0 109.868 173.238 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.65 -14.75 61.85 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.007 -178.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.8 ' HG3' ' CD2' ' B' ' 90' ' ' HIS . 9.5 pt-20 -93.38 -2.64 54.51 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -177.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . 0.8 ' CD2' ' HG3' ' B' ' 89' ' ' GLU . 94.0 m-70 -131.33 23.92 4.82 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -178.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.8 39.42 87.43 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.92 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . 0.8 HD11 HD23 ' A' ' 51' ' ' LEU . 29.2 mm -79.88 148.67 5.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 120.745 0.307 . . . . 0.0 110.983 -176.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -87.16 124.8 67.89 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.695 -178.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 94' ' ' PRO . . . . . 0.46 ' HA ' ' NE2' ' A' ' 42' ' ' GLN . 55.0 Cg_endo -88.44 149.44 6.42 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 122.988 2.459 . . . . 0.0 112.233 176.308 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . 0.672 ' HB2' ' HG3' ' A' ' 42' ' ' GLN . . . -99.43 8.36 44.66 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.332 -177.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . 0.501 ' HD3' ' HA ' ' B' ' 96' ' ' ARG . 8.7 mmt180 -79.21 -9.19 59.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.325 0.583 . . . . 0.0 110.117 174.183 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -118.92 163.65 16.6 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.158 -1.052 . . . . 0.0 108.158 169.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 98' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -90.42 132.7 35.47 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.814 0.34 . . . . 0.0 110.736 -174.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 99' ' ' ALA . . . . . 0.699 ' H ' ' HB ' ' B' ' 102' ' ' ILE . . . -142.02 -170.91 3.25 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.196 178.306 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -39.35 -67.93 0.19 Allowed 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -171.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' HIS . . . . . 0.438 ' HE1' ' O ' ' A' ' 41' ' ' ALA . 22.1 p80 -108.02 22.92 15.27 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.855 0.36 . . . . 0.0 110.684 -177.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' ILE . . . . . 0.699 ' HB ' ' H ' ' B' ' 99' ' ' ALA . 42.2 mt -98.94 111.36 60.51 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.57 -178.309 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' PRO . . . . . 0.41 ' HA ' ' HD2' ' B' ' 104' ' ' PRO . 35.6 Cg_exo -60.18 120.28 7.96 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 122.688 2.259 . . . . 0.0 111.794 178.603 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' B' ' 103' ' ' PRO . 18.1 Cg_endo -60.51 114.37 2.1 Favored 'Trans proline' 0 N--CA 1.463 -0.269 0 C-N-CA 122.718 2.278 . . . . 0.0 111.914 -179.513 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' ALA . . . . . 0.461 ' HA ' ' HD3' ' B' ' 106' ' ' PRO . . . -72.82 121.87 86.13 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.433 179.347 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' B' ' 105' ' ' ALA . 21.8 Cg_exo -65.81 146.82 84.43 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.889 2.393 . . . . 0.0 112.214 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -100.5 25.11 8.06 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.713 178.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 65.7 m95 . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.467 -0.777 . . . . 0.0 109.992 -178.607 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.667 0 N-CA-C 112.021 -0.431 . . . . 0.0 112.021 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -96.19 -42.13 8.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.974 0.416 . . . . 0.0 110.493 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 63.8 mtt -136.57 134.27 37.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.138 178.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.6 p -87.56 127.59 35.26 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.726 0.298 . . . . 0.0 110.57 174.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -144.71 162.99 28.02 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.098 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.414 ' O ' ' HB3' ' A' ' 7' ' ' LYS . 46.8 t80 -109.49 -44.74 3.82 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 -179.454 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.414 ' HB3' ' O ' ' A' ' 6' ' ' PHE . 38.3 ttmt 76.13 136.95 0.06 Allowed 'General case' 0 C--O 1.235 0.323 0 O-C-N 124.153 0.908 . . . . 0.0 111.292 179.042 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 15.0 t-160 -73.62 73.44 1.48 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.122 -0.945 . . . . 0.0 111.253 -179.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.7 t -107.2 82.84 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 107.213 -1.403 . . . . 0.0 107.213 172.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.752 ' HB3' ' OH ' ' A' ' 53' ' ' TYR . 19.4 m -35.9 88.58 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 O-C-N 124.796 1.31 . . . . 0.0 114.349 -164.09 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.5 m80 -152.4 -48.48 0.1 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.528 -1.215 . . . . 0.0 107.892 171.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.746 HG13 HD21 ' A' ' 62' ' ' LEU . 47.1 t 70.4 -21.89 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 CA-C-N 115.111 -0.949 . . . . 0.0 113.441 166.402 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 99.72 19.44 20.02 Favored Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 -171.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.431 ' CZ2' ' HA ' ' A' ' 16' ' ' PRO . 38.3 t90 -108.5 139.35 43.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.619 -0.79 . . . . 0.0 110.462 -177.544 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.638 ' HB3' ' HB2' ' A' ' 18' ' ' ASN . 15.2 t70 -110.84 137.95 20.97 Favored Pre-proline 0 C--N 1.323 -0.587 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 174.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.448 ' HD2' ' CG ' ' A' ' 15' ' ' ASP . 80.4 Cg_exo -28.57 -75.0 0.03 OUTLIER 'Trans proline' 0 CA--C 1.533 0.456 0 C-N-CA 125.228 3.952 . . . . 0.0 115.101 -174.44 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -105.94 -0.82 24.72 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 -179.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.638 ' HB2' ' HB3' ' A' ' 15' ' ' ASP . 47.8 m-80 -90.44 -19.98 23.29 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.764 0.316 . . . . 0.0 111.253 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.808 ' HA3' ' HA ' ' A' ' 44' ' ' THR . . . 91.56 -163.74 28.78 Favored Glycine 0 N--CA 1.442 -0.945 0 C-N-CA 120.61 -0.805 . . . . 0.0 113.434 174.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.493 ' HB2' ' HG ' ' A' ' 43' ' ' LEU . 56.9 m-85 -84.74 145.61 27.83 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 179.668 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -74.53 103.38 4.84 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 177.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.652 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 17.5 m -72.03 -4.69 5.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.419 -175.328 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -85.64 -41.11 15.49 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.694 -0.23 . . . . 0.0 110.616 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -110.72 35.63 3.42 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.205 0.526 . . . . 0.0 111.243 177.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.652 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 13.8 mt -65.1 133.75 52.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.835 176.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.421 ' HB3' HD12 ' A' ' 29' ' ' LEU . 12.7 t70 -65.3 133.78 95.58 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.682 173.498 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 26' ' ' ASP . 85.7 Cg_exo -49.15 -34.72 31.41 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 124.29 3.327 . . . . 0.0 114.323 -177.247 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -79.82 -41.01 27.26 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.404 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.454 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 96.1 mt -59.4 -48.24 82.4 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 109.595 -0.521 . . . . 0.0 109.595 172.209 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -53.12 -49.1 67.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.862 178.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.3 t -61.34 -48.21 82.34 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.146 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.582 HD21 ' HB ' ' B' ' 79' ' ' VAL . 61.9 tp -63.2 -55.35 25.8 Favored 'General case' 0 CA--C 1.51 -0.596 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -174.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.499 ' HZ ' HD11 ' A' ' 56' ' ' ILE . 20.1 m-30 -57.46 -46.25 83.87 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.105 -173.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.1 t -62.37 -34.06 75.96 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.733 177.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 35.3 ttt180 -76.67 -28.62 56.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.227 0.537 . . . . 0.0 110.634 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.4 ' O ' ' HG2' ' B' ' 84' ' ' MET . . . -83.84 -10.1 58.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.192 -177.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 113.09 -18.36 21.46 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.232 178.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.914 HG12 HD11 ' A' ' 52' ' ' ILE . 4.2 mp -72.25 121.12 21.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 78.8 p -92.58 178.16 5.89 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 176.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -60.53 -37.72 82.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.327 0.584 . . . . 0.0 109.864 177.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.423 ' HB1' ' CB ' ' B' ' 99' ' ' ALA . . . -65.32 -55.49 17.96 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.606 177.321 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.843 ' HG2' HG21 ' A' ' 48' ' ' THR . 13.2 tt0 -59.99 -33.92 72.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.151 0.5 . . . . 0.0 110.577 -177.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.493 ' HG ' ' HB2' ' A' ' 20' ' ' PHE . 23.3 tp -67.26 -17.74 64.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.277 -178.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.808 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 18.9 p -111.82 13.01 20.98 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.99 0.424 . . . . 0.0 110.915 179.25 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.56 151.18 26.52 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.979 174.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.33 -65.57 0.58 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -172.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.597 ' H ' ' CD ' ' A' ' 47' ' ' GLU . 1.0 OUTLIER -74.91 -33.4 62.0 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.337 -173.392 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.843 HG21 ' HG2' ' A' ' 42' ' ' GLN . 7.8 m -60.64 -58.89 6.54 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.505 ' CB ' ' HA2' ' A' ' 19' ' ' GLY . 80.9 p -64.04 -39.73 94.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.258 -173.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -57.07 -39.19 74.48 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.692 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.437 HD12 HD11 ' B' ' 92' ' ' ILE . 29.6 mt -74.71 -39.05 62.16 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.066 178.298 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.914 HD11 HG12 ' A' ' 38' ' ' ILE . 69.5 mt -58.16 -44.63 88.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.794 0.33 . . . . 0.0 111.524 175.159 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.752 ' OH ' ' HB3' ' A' ' 10' ' ' SER . 46.4 t80 -60.57 -48.11 83.2 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.841 0.353 . . . . 0.0 110.724 178.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -59.5 -39.7 84.66 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.357 0.599 . . . . 0.0 110.536 174.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.93 ' HE1' ' HG3' ' B' ' 82' ' ' ARG . 51.9 t80 -55.3 -56.85 15.28 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.902 176.472 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.627 HG23 HG21 ' A' ' 65' ' ' VAL . 80.2 mt -57.55 -35.56 50.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.358 -177.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -73.18 -21.01 60.76 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.351 -178.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.402 ' HB3' ' O ' ' A' ' 55' ' ' PHE . 29.6 t70 -69.66 -36.72 76.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.021 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -80.58 -5.89 57.47 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.856 -0.338 . . . . 0.0 111.246 178.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.92 -24.83 8.18 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.51 -0.852 . . . . 0.0 112.305 178.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 145.05 -173.8 25.36 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.089 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.746 HD21 HG13 ' A' ' 12' ' ' VAL . 10.5 mp -64.01 -42.71 97.05 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -174.517 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.8 mp0 -54.36 -44.8 72.49 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.753 0.311 . . . . 0.0 111.2 178.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.44 -42.7 78.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -177.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.627 HG21 HG23 ' A' ' 56' ' ' ILE . 46.3 t -63.04 -38.0 80.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.465 -177.049 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.511 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 50.4 mtp180 -64.5 -28.4 69.63 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.855 179.51 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.446 ' O ' ' HB2' ' A' ' 71' ' ' ARG . 78.4 mt-30 -86.23 -32.58 21.09 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.594 -175.36 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.584 ' HB2' HG22 ' B' ' 79' ' ' VAL . 6.6 mm-40 -47.87 -32.89 6.74 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 123.83 0.706 . . . . 0.0 111.576 -178.498 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.4 ' HE2' ' HB2' ' A' ' 32' ' ' LEU . 47.8 mtt -49.89 -38.48 35.94 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.36 -178.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.17 27.3 5.38 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.043 -0.981 . . . . 0.0 109.977 -178.348 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.454 ' HB3' ' HA ' ' A' ' 68' ' ' GLU . 1.7 ttp180 -120.62 -86.16 0.65 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.246 -177.455 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.406 ' HB2' ' O ' ' B' ' 77' ' ' PRO . 49.2 tp60 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.135 -0.936 . . . . 0.0 111.343 -175.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.612 0 N-CA-C 111.884 -0.486 . . . . 0.0 111.884 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . 0.519 ' HD2' ' HB3' ' B' ' 81' ' ' GLN . 22.8 p-80 -59.16 141.35 54.41 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 110.467 -0.197 . . . . 0.0 110.467 179.29 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' MET . . . . . 0.687 ' HB3' ' HG3' ' B' ' 81' ' ' GLN . 49.0 ttm -40.53 -73.34 0.05 OUTLIER 'General case' 0 N--CA 1.474 0.747 0 O-C-N 124.136 0.898 . . . . 0.0 112.76 -170.663 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . 0.961 ' HB2' ' HB2' ' B' ' 81' ' ' GLN . 3.5 mm? -62.71 130.6 93.84 Favored Pre-proline 0 C--N 1.315 -0.931 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 173.029 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' PRO . . . . . 0.406 ' O ' ' HB2' ' A' ' 72' ' ' GLN . 74.8 Cg_endo -81.07 14.43 2.1 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 122.928 2.418 . . . . 0.0 112.242 -173.338 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -141.18 -168.31 2.59 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.56 -174.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.679 HG12 ' CZ ' ' A' ' 55' ' ' PHE . 0.0 OUTLIER -52.3 -27.56 10.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 114.888 -1.051 . . . . 0.0 112.728 178.346 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.436 ' O ' ' HG3' ' B' ' 84' ' ' MET . . . -53.2 -58.72 6.07 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -175.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' GLN . . . . . 0.961 ' HB2' ' HB2' ' B' ' 76' ' ' LEU . 1.2 tm0? -73.6 -26.6 60.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.339 0.59 . . . . 0.0 109.993 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . 0.93 ' HG3' ' HE1' ' A' ' 55' ' ' PHE . 11.1 tpt180 -64.07 -29.95 71.05 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.188 -0.914 . . . . 0.0 109.541 177.425 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 0.692 ' HG ' ' CE2' ' A' ' 55' ' ' PHE . 1.8 mt -76.13 -45.16 35.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.347 175.43 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' MET . . . . . 0.436 ' HG3' ' O ' ' B' ' 80' ' ' ALA . 63.3 mtt -51.95 -48.68 64.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.913 -178.212 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -67.48 -28.07 67.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.952 179.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . 0.443 ' O ' ' HD2' ' B' ' 90' ' ' HIS . 39.1 t60 -73.59 -28.57 61.9 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.197 -175.603 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.653 HD12 HG13 ' B' ' 92' ' ' ILE . 2.3 mm? -92.11 -46.09 7.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.912 0.387 . . . . 0.0 111.141 177.354 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.24 -31.22 71.02 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -172.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -82.57 2.13 34.68 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -176.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . 0.443 ' HD2' ' O ' ' B' ' 86' ' ' HIS . 96.4 m-70 -125.56 15.68 8.19 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.404 -0.519 . . . . 0.0 111.716 -179.608 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 59.92 38.27 93.87 Favored Glycine 0 C--N 1.329 0.188 0 C-N-CA 120.955 -0.64 . . . . 0.0 112.565 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . 0.653 HG13 HD12 ' B' ' 87' ' ' LEU . 22.5 mm -69.33 146.56 12.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 120.829 0.347 . . . . 0.0 111.351 -177.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -61.8 123.48 77.44 Favored Pre-proline 0 C--N 1.333 -0.151 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.391 178.203 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 94' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -75.68 150.81 35.81 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 122.338 2.025 . . . . 0.0 112.358 179.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . 0.644 ' HB2' ' HB2' ' A' ' 42' ' ' GLN . . . -74.0 79.68 1.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.867 178.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . 0.439 ' HG3' ' H ' ' B' ' 97' ' ' ASN . 0.6 OUTLIER -170.0 171.59 6.97 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.266 -178.039 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 97' ' ' ASN . . . . . 0.439 ' H ' ' HG3' ' B' ' 96' ' ' ARG . 12.6 m120 68.65 -90.32 0.03 OUTLIER 'General case' 0 C--O 1.233 0.211 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 173.244 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 98' ' ' MET . . . . . . . . . . . . . 23.1 ptm -142.9 126.57 16.98 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.155 0.502 . . . . 0.0 110.758 -174.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 99' ' ' ALA . . . . . 0.423 ' CB ' ' HB1' ' A' ' 41' ' ' ALA . . . -129.18 40.5 3.61 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.71 -178.355 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -79.3 60.04 3.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.6 0.714 . . . . 0.0 110.847 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -99.8 7.15 45.22 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.758 -178.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' ILE . . . . . 0.407 ' HA ' ' HD3' ' B' ' 103' ' ' PRO . 66.8 mt -89.32 119.27 69.66 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.51 -176.327 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' B' ' 102' ' ' ILE . 15.1 Cg_exo -69.1 122.19 9.04 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.768 2.312 . . . . 0.0 111.365 176.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 104' ' ' PRO . . . . . 0.444 ' O ' ' HD3' ' B' ' 106' ' ' PRO . 32.6 Cg_endo -64.47 123.26 11.49 Favored 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 122.545 2.163 . . . . 0.0 112.059 -179.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -88.05 106.55 12.45 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.818 176.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 106' ' ' PRO . . . . . 0.444 ' HD3' ' O ' ' B' ' 104' ' ' PRO . 97.1 Cg_endo -88.96 135.85 2.88 Favored 'Trans proline' 0 N--CA 1.453 -0.877 0 C-N-CA 122.906 2.404 . . . . 0.0 113.065 -174.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -83.79 125.85 32.34 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.566 174.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 76.8 m95 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.505 -0.76 . . . . 0.0 110.189 -178.55 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.649 0 N-CA-C 111.846 -0.501 . . . . 0.0 111.846 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 33.9 t-80 -80.48 -32.57 37.05 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.014 0.435 . . . . 0.0 110.067 179.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 55.2 ttp -123.41 -38.54 2.54 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.94 176.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.9 p -84.43 145.35 28.21 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.541 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 165.59 -177.55 40.79 Favored Glycine 0 N--CA 1.444 -0.819 0 N-CA-C 111.427 -0.669 . . . . 0.0 111.427 -179.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -104.19 105.42 15.57 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 -179.277 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.7 pttt -71.05 84.1 0.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.953 0.882 . . . . 0.0 111.892 -176.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.552 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 0.9 OUTLIER -151.8 166.88 30.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.169 -1.378 . . . . 0.0 108.707 173.056 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.552 ' HB ' ' O ' ' A' ' 8' ' ' HIS . 14.6 p 164.85 -28.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 177.18 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.539 ' C ' ' H ' ' A' ' 12' ' ' VAL . 50.4 m -57.72 -28.13 63.59 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 113.201 -1.818 . . . . 0.0 112.637 178.258 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.529 ' O ' HG12 ' A' ' 12' ' ' VAL . 39.5 m80 69.23 -8.35 0.72 Allowed 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.35 0.66 . . . . 0.0 110.411 -169.659 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.539 ' H ' ' C ' ' A' ' 10' ' ' SER . 0.8 OUTLIER 59.59 9.34 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 C-N-CA 125.064 1.345 . . . . 0.0 113.162 173.1 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.72 18.51 58.2 Favored Glycine 0 N--CA 1.453 -0.191 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.716 -178.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.556 ' CZ2' ' HA ' ' A' ' 16' ' ' PRO . 64.4 t90 -105.89 135.54 47.14 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.04 0.448 . . . . 0.0 111.34 -178.54 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.688 ' HB3' ' HB2' ' A' ' 18' ' ' ASN . 9.8 t70 -117.42 135.63 23.26 Favored Pre-proline 0 C--N 1.322 -0.592 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 173.279 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.556 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 10.9 Cg_endo -53.63 -29.98 53.35 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 123.602 2.868 . . . . 0.0 113.923 -175.486 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -106.28 -42.3 5.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.661 0.267 . . . . 0.0 111.672 179.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.688 ' HB2' ' HB3' ' A' ' 15' ' ' ASP . 2.7 m-20 -76.82 -26.49 54.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.684 -174.436 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 91.59 -157.56 24.69 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.899 -0.667 . . . . 0.0 111.782 -177.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.641 ' HB2' ' HB3' ' A' ' 43' ' ' LEU . 60.6 m-85 -77.51 122.16 24.86 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 175.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -68.33 105.79 2.27 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 178.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.652 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 17.5 m -69.24 -11.59 15.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.472 -172.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.485 HD22 ' ND2' ' A' ' 24' ' ' ASN . 6.0 t30 -82.74 -39.92 21.23 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.343 0.592 . . . . 0.0 110.21 176.193 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.485 ' ND2' HD22 ' A' ' 23' ' ' ASN . 36.8 m-80 -96.58 16.21 19.45 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.633 -177.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.652 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 26.0 mt -66.18 124.35 22.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.006 0.431 . . . . 0.0 111.443 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.424 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 8.1 t70 -64.84 130.23 94.73 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 115.422 -0.808 . . . . 0.0 108.975 172.257 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 26' ' ' ASP . 77.6 Cg_exo -51.78 -29.93 35.95 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 123.774 2.982 . . . . 0.0 113.735 -178.001 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.681 ' HB3' HH21 ' A' ' 66' ' ' ARG . 32.0 t70 -77.07 -41.51 42.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.891 0.377 . . . . 0.0 110.116 -179.378 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.418 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 96.0 mt -63.4 -47.51 81.7 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 121.172 0.51 . . . . 0.0 109.777 172.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -56.73 -38.92 73.04 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.964 179.009 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.2 t -56.15 -48.02 77.09 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.091 177.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.493 ' CD1' HG13 ' B' ' 79' ' ' VAL . 61.6 tp -67.05 -51.97 48.02 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.249 -177.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.437 ' HB3' HD21 ' A' ' 43' ' ' LEU . 14.9 m-30 -60.8 -42.59 97.93 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.653 -174.348 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.5 t -65.96 -32.39 73.85 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.461 177.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -76.57 -26.45 55.1 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.437 0.637 . . . . 0.0 110.043 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.17 -3.99 56.08 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.882 179.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.25 -7.54 80.44 Favored Glycine 0 N--CA 1.453 -0.201 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.299 179.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.727 HD13 HD11 ' A' ' 52' ' ' ILE . 20.3 mt -76.06 111.33 12.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 120.955 0.407 . . . . 0.0 110.683 -179.084 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 67.9 p -75.97 167.06 22.57 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.852 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.47 ' HB3' HG11 ' A' ' 22' ' ' VAL . 1.9 mp0 -53.27 -45.69 68.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.074 0.464 . . . . 0.0 110.485 177.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.39 -42.98 99.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.75 179.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.897 ' HG2' HG21 ' A' ' 48' ' ' THR . 41.5 tt0 -62.05 -32.75 73.3 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.339 -178.45 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.653 ' O ' ' HB3' ' A' ' 49' ' ' SER . 68.8 mt -70.17 -17.46 63.17 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.452 178.729 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.1 p -98.78 5.41 47.53 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.107 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -76.06 132.37 40.06 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 170.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -50.75 -57.28 8.74 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.249 0.462 . . . . 0.0 112.249 -172.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.436 ' H ' ' CD ' ' A' ' 47' ' ' GLU . 1.5 pm0 -69.75 -44.85 69.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.369 -177.232 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.897 HG21 ' HG2' ' A' ' 42' ' ' GLN . 9.0 m -53.74 -51.97 61.64 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.786 0.327 . . . . 0.0 111.299 179.261 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.653 ' HB3' ' O ' ' A' ' 43' ' ' LEU . 60.2 p -65.22 -48.7 72.4 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.12 -178.241 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -57.47 -37.67 73.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.682 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.773 ' HA ' ' HB3' ' A' ' 54' ' ' ASP . 35.7 mt -85.39 -15.21 43.85 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -177.423 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.727 HD11 HD13 ' A' ' 38' ' ' ILE . 96.8 mt -78.23 -37.06 21.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 C-N-CA 120.13 -0.628 . . . . 0.0 109.934 167.122 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -65.21 -47.63 76.19 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 173.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.773 ' HB3' ' HA ' ' A' ' 51' ' ' LEU . 1.5 t70 -52.38 -36.95 55.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.482 171.338 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.807 ' HE1' ' HG3' ' B' ' 82' ' ' ARG . 60.3 t80 -66.58 -57.43 7.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.129 -179.578 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.407 ' CG2' ' HA ' ' A' ' 62' ' ' LEU . 84.6 mt -56.2 -41.31 69.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.423 -179.325 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -63.56 -50.19 70.46 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.393 -0.822 . . . . 0.0 111.079 175.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -54.21 -34.7 61.22 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.685 177.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.524 ' HG3' HG12 ' A' ' 65' ' ' VAL . 32.0 mm-40 -70.86 -11.71 61.12 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.929 0.395 . . . . 0.0 110.889 179.678 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 120.17 -0.92 13.07 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.748 -0.739 . . . . 0.0 113.141 178.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 133.79 -179.41 17.49 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.133 -1.032 . . . . 0.0 112.861 176.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.407 ' HA ' ' CG2' ' A' ' 56' ' ' ILE . 87.7 mt -58.68 -45.56 89.18 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -172.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -67.24 -25.13 65.94 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.327 0.492 . . . . 0.0 112.327 -176.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.423 ' O ' ' HG3' ' A' ' 68' ' ' GLU . . . -56.52 -61.08 2.66 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -170.001 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.606 ' HB ' HG21 ' B' ' 79' ' ' VAL . 1.4 m -65.02 -26.08 39.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.494 0.664 . . . . 0.0 110.689 -173.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.681 HH21 ' HB3' ' A' ' 28' ' ' ASP . 41.4 mtp180 -73.4 -26.09 60.83 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.03 -177.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -91.84 -22.28 20.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.317 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.742 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 13.6 mt-10 -68.5 -15.59 63.6 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 120.777 0.322 . . . . 0.0 111.122 -179.446 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 47.6 mtt -61.54 -24.79 66.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.323 0.582 . . . . 0.0 110.026 171.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 64.2 mtp180 -127.07 17.4 7.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.243 -0.889 . . . . 0.0 109.694 -177.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.742 ' HB3' ' HA ' ' A' ' 68' ' ' GLU . 55.5 ttt180 -99.78 -81.31 0.46 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.006 -176.089 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 . . . . . 0 C--O 1.246 0.897 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.229 -178.371 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.602 0 N-CA-C 111.794 -0.522 . . . . 0.0 111.794 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . 0.676 ' HA ' ' OE1' ' B' ' 85' ' ' GLN . 1.9 t60 65.07 27.04 12.56 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 122.951 0.5 . . . . 0.0 110.5 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' MET . . . . . . . . . . . . . 22.1 ptp -177.69 146.07 0.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.509 -177.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . 0.877 ' HB3' ' HG3' ' B' ' 81' ' ' GLN . 13.6 tp -148.39 -76.33 0.02 OUTLIER Pre-proline 0 CA--C 1.546 0.793 0 CA-C-O 118.863 -0.589 . . . . 0.0 111.542 -174.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' PRO . . . . . 0.663 ' HD3' ' HG ' ' B' ' 76' ' ' LEU . 92.5 Cg_endo -84.72 -38.34 0.12 Allowed 'Trans proline' 0 C--N 1.356 0.941 0 CA-C-N 120.992 1.39 . . . . 0.0 112.708 175.465 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -165.92 -166.65 0.96 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.708 -175.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.606 HG21 ' HB ' ' A' ' 65' ' ' VAL . 2.5 p -54.18 -26.88 15.87 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 123.524 0.729 . . . . 0.0 112.572 178.432 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.646 ' O ' ' HG3' ' B' ' 84' ' ' MET . . . -48.3 -45.97 35.59 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -179.055 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' GLN . . . . . 0.877 ' HG3' ' HB3' ' B' ' 76' ' ' LEU . 5.5 mm100 -64.39 -37.03 86.08 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.904 0.383 . . . . 0.0 111.223 -179.678 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . 0.807 ' HG3' ' HE1' ' A' ' 55' ' ' PHE . 0.8 OUTLIER -65.7 -30.47 71.15 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-O 121.562 0.696 . . . . 0.0 109.642 178.529 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 0.607 HD13 ' CD2' ' A' ' 55' ' ' PHE . 49.8 tp -81.03 -44.74 17.61 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.013 -0.994 . . . . 0.0 111.649 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' MET . . . . . 0.646 ' HG3' ' O ' ' B' ' 80' ' ' ALA . 54.8 mtt -48.36 -55.17 11.43 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 121.314 0.578 . . . . 0.0 110.922 -177.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . 0.676 ' OE1' ' HA ' ' B' ' 74' ' ' HIS . 42.3 mt-30 -69.12 -28.97 66.95 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.479 -178.15 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . 0.471 ' O ' ' HD2' ' B' ' 90' ' ' HIS . 44.0 t60 -59.02 -31.97 69.31 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.254 -177.26 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.574 HD12 HG12 ' B' ' 92' ' ' ILE . 1.5 mm? -83.49 -35.71 24.67 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.581 -0.448 . . . . 0.0 110.692 176.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.01 -32.15 73.59 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.185 -178.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.596 ' HG3' ' O ' ' B' ' 85' ' ' GLN . 49.4 mt-10 -65.72 -17.66 64.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.784 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . 0.471 ' HD2' ' O ' ' B' ' 86' ' ' HIS . 95.1 m-70 -120.53 4.12 10.68 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -172.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 79.24 32.57 38.52 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 120.701 -0.761 . . . . 0.0 113.624 175.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . 0.595 HD11 HD12 ' A' ' 51' ' ' LEU . 1.4 mp -60.81 145.83 12.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 C-N-CA 122.933 0.493 . . . . 0.0 111.805 175.336 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . 0.417 HE22 ' CD ' ' A' ' 47' ' ' GLU . 1.4 mp0 -66.58 122.82 83.73 Favored Pre-proline 0 C--N 1.333 -0.121 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.97 176.196 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 94' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -67.83 163.64 34.66 Favored 'Trans proline' 0 C--O 1.236 0.409 0 C-N-CA 122.415 2.077 . . . . 0.0 112.033 176.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.83 77.44 0.87 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.508 -178.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -101.53 124.31 46.99 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.896 176.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -73.84 113.7 11.29 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.438 0.637 . . . . 0.0 110.078 178.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 98' ' ' MET . . . . . . . . . . . . . 64.3 mtt -128.71 1.59 5.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.679 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . 65.39 -74.51 0.05 Allowed 'General case' 0 N--CA 1.467 0.421 0 O-C-N 123.941 0.776 . . . . 0.0 111.529 -176.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -81.37 132.45 35.33 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.9 0.381 . . . . 0.0 110.02 -179.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -126.24 31.63 5.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.072 0.463 . . . . 0.0 110.355 -173.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 49.3 mm -104.77 124.24 37.49 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.913 -177.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' PRO . . . . . 0.51 ' HA ' ' HD3' ' B' ' 104' ' ' PRO . 56.9 Cg_endo -73.12 139.27 29.36 Favored 'Trans proline' 0 CA--C 1.532 0.404 0 C-N-CA 122.743 2.296 . . . . 0.0 111.948 176.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 104' ' ' PRO . . . . . 0.51 ' HD3' ' HA ' ' B' ' 103' ' ' PRO . 35.1 Cg_exo -61.62 140.88 89.04 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 123.144 2.563 . . . . 0.0 112.722 -178.504 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 105' ' ' ALA . . . . . 0.458 ' HA ' ' HD3' ' B' ' 106' ' ' PRO . . . -87.2 137.63 32.76 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.536 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 106' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' B' ' 105' ' ' ALA . 13.6 Cg_exo -69.25 -17.02 40.11 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 123.142 2.561 . . . . 0.0 111.868 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -147.77 130.02 15.6 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.442 176.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 5.7 t-105 . . . . . 0 C--O 1.251 1.132 0 N-CA-C 109.082 -0.711 . . . . 0.0 109.082 -179.724 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.646 0 N-CA-C 112.719 -0.152 . . . . 0.0 112.719 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -92.52 69.57 4.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.993 0.425 . . . . 0.0 110.805 -177.452 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 64.8 mtt -99.64 98.27 9.15 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 176.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.0 t 74.75 162.02 0.25 Allowed 'General case' 0 C--O 1.236 0.386 0 O-C-N 124.014 0.821 . . . . 0.0 110.518 -176.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -149.45 113.07 0.58 Allowed Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.904 -0.665 . . . . 0.0 111.846 -178.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -70.64 103.43 2.53 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.862 0.363 . . . . 0.0 110.375 177.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -127.04 31.24 5.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.342 0.592 . . . . 0.0 109.976 178.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.61 ' HD1' ' HH ' ' A' ' 53' ' ' TYR . 24.3 t60 -77.54 98.1 5.25 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.339 178.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.5 p -135.51 150.73 29.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.629 176.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 63.1 m 69.76 2.32 3.78 Favored 'General case' 0 CA--C 1.529 0.17 0 O-C-N 123.436 0.46 . . . . 0.0 111.618 177.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 76.6 m80 62.26 5.28 1.48 Allowed 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 122.967 0.507 . . . . 0.0 111.111 -175.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.611 HG21 ' HE1' ' A' ' 53' ' ' TYR . 15.8 t 61.32 6.02 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 123.676 0.79 . . . . 0.0 111.807 179.16 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 64.77 32.06 82.97 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.727 -0.749 . . . . 0.0 111.369 -174.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.501 ' CZ2' ' HA ' ' A' ' 16' ' ' PRO . 56.4 t90 -111.71 138.29 48.47 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.218 0.532 . . . . 0.0 111.477 -176.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.417 ' HB3' ' HB2' ' A' ' 18' ' ' ASN . 12.2 t70 -120.76 132.18 24.25 Favored Pre-proline 0 C--N 1.323 -0.545 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 172.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.501 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 9.3 Cg_endo -52.08 -29.77 37.98 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 123.918 3.079 . . . . 0.0 114.137 -175.029 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -105.38 -42.5 5.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.796 0.331 . . . . 0.0 111.539 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.417 ' HB2' ' HB3' ' A' ' 15' ' ' ASP . 36.2 m-80 -84.06 -12.72 54.68 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -173.426 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.81 ' HA3' ' HA ' ' A' ' 44' ' ' THR . . . 86.42 -161.85 34.32 Favored Glycine 0 N--CA 1.442 -0.93 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.792 177.427 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.502 ' HB2' ' HG ' ' A' ' 43' ' ' LEU . 55.5 m-85 -81.44 143.96 31.74 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 178.195 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -70.26 101.83 1.98 Allowed 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 176.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.673 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 16.4 m -68.24 -14.02 17.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -174.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -88.6 -39.61 13.97 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.271 0.558 . . . . 0.0 109.878 176.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -97.73 29.91 3.18 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.337 179.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.673 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 7.1 mt -66.86 133.43 50.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.604 -178.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.522 ' HB3' ' HB2' ' A' ' 29' ' ' LEU . 11.2 t70 -59.9 132.47 89.43 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.21 -0.904 . . . . 0.0 109.639 173.414 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 26' ' ' ASP . 63.6 Cg_exo -51.54 -31.71 40.75 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 123.9 3.067 . . . . 0.0 113.755 -176.519 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -84.6 -45.15 12.82 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.522 ' HB2' ' HB3' ' A' ' 26' ' ' ASP . 6.9 mp -49.76 -52.78 29.24 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 120.736 0.303 . . . . 0.0 111.25 171.053 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -56.11 -43.07 77.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.224 -178.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.5 t -67.29 -46.6 73.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.347 0.594 . . . . 0.0 110.388 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.823 HD21 HG13 ' B' ' 79' ' ' VAL . 2.5 tm? -62.64 -55.2 29.2 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.388 -175.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.629 ' HB3' ' HB ' ' A' ' 38' ' ' ILE . 18.2 m-85 -59.71 -33.37 71.51 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.534 -178.357 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.4 t -66.29 -31.16 71.8 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.187 178.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -79.53 -40.96 28.35 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.413 0.625 . . . . 0.0 110.13 175.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.487 ' HB1' ' HB3' ' B' ' 83' ' ' LEU . . . -70.32 -16.7 63.03 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.889 -1.051 . . . . 0.0 111.606 -175.015 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 106.66 -3.15 36.44 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.849 174.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.629 ' HB ' ' HB3' ' A' ' 33' ' ' PHE . 5.0 mp -75.78 115.85 17.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.878 0.371 . . . . 0.0 110.416 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.8 t -91.87 164.96 13.48 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 174.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -48.23 -47.23 35.95 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 122.738 0.415 . . . . 0.0 111.84 -175.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.478 ' O ' ' HE1' ' B' ' 101' ' ' HIS . . . -59.61 -53.05 62.53 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-O 120.873 0.368 . . . . 0.0 110.78 178.228 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 1.001 ' HG2' HG21 ' A' ' 48' ' ' THR . 21.8 tt0 -55.35 -38.8 69.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.585 0.707 . . . . 0.0 110.182 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.599 HD21 HD21 ' A' ' 25' ' ' LEU . 30.8 tp -71.37 -13.04 61.73 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.169 -177.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.81 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 22.9 p -118.16 20.01 13.34 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.91 -179.486 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -90.67 150.15 21.78 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.23 173.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.85 -63.41 1.16 Allowed 'General case' 0 C--O 1.237 0.429 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -171.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.405 ' H ' ' CD ' ' A' ' 47' ' ' GLU . 1.2 pm0 -75.05 -36.95 61.8 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.674 -174.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 1.001 HG21 ' HG2' ' A' ' 42' ' ' GLN . 17.8 m -61.39 -56.57 18.85 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.832 -176.052 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.581 ' CB ' ' HA2' ' A' ' 19' ' ' GLY . 77.9 p -60.69 -40.54 92.56 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.068 0.461 . . . . 0.0 110.969 -176.548 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.425 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 4.4 ttmp? -62.65 -42.53 99.66 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.494 -179.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 1.029 HD12 HD11 ' B' ' 92' ' ' ILE . 45.5 mt -74.74 -31.01 61.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.343 179.176 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.645 ' O ' ' HB3' ' A' ' 55' ' ' PHE . 57.4 mt -62.6 -45.47 98.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.757 172.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.611 ' HE1' HG21 ' A' ' 12' ' ' VAL . 87.8 t80 -67.34 -39.56 85.79 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.237 -0.585 . . . . 0.0 110.037 177.297 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.409 ' HB3' ' HA ' ' A' ' 51' ' ' LEU . 20.1 t70 -57.67 -37.0 72.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.39 0.614 . . . . 0.0 109.953 174.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.645 ' HB3' ' O ' ' A' ' 52' ' ' ILE . 50.1 t80 -59.46 -54.28 48.49 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.437 174.176 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.499 HG12 HG21 ' A' ' 65' ' ' VAL . 69.9 mt -56.68 -42.37 76.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.294 -0.867 . . . . 0.0 110.742 -179.432 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -57.11 -51.51 69.02 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.872 173.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -59.32 -31.1 68.86 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.183 -177.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.584 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 24.0 mm-40 -71.97 -14.99 62.06 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.154 0.502 . . . . 0.0 110.854 -178.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.18 9.4 8.77 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.241 -177.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 114.11 -178.11 18.08 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.708 176.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 29.0 tp -60.55 -38.46 84.55 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.984 0.365 . . . . 0.0 111.984 -174.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -66.06 -32.22 73.57 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.745 0.276 . . . . 0.0 111.745 -177.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.548 ' O ' ' HG3' ' A' ' 68' ' ' GLU . . . -60.94 -55.83 28.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.507 -174.454 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.499 HG21 HG12 ' A' ' 56' ' ' ILE . 43.4 t -60.71 -34.54 59.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.38 0.61 . . . . 0.0 110.898 -173.124 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 67.8 mtp180 -66.42 -32.46 73.86 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.027 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -94.18 -28.05 15.86 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.079 -0.51 . . . . 0.0 112.292 -174.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 1.067 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 26.3 mt-10 -62.85 -17.03 60.86 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 121.187 -0.205 . . . . 0.0 111.475 -176.54 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.793 ' HA ' ' HB2' ' B' ' 78' ' ' ASP . 43.4 mtt -52.22 -37.4 54.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.374 0.607 . . . . 0.0 110.873 172.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -120.3 14.8 12.15 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.401 -179.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 1.067 ' HB3' ' HA ' ' A' ' 68' ' ' GLU . 4.4 tmt_? -105.64 -54.39 2.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.293 -178.271 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.231 0 O-C-N 124.092 0.87 . . . . 0.0 109.85 -175.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.75 0 N-CA-C 112.253 -0.339 . . . . 0.0 112.253 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . 0.521 ' HB2' ' HB2' ' B' ' 81' ' ' GLN . 66.3 m-70 -78.27 142.16 38.02 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 175.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' MET . . . . . . . . . . . . . 75.1 mmm -84.36 64.47 8.37 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.421 0.629 . . . . 0.0 111.415 -174.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . 0.881 ' HB2' ' HB3' ' B' ' 81' ' ' GLN . 54.4 mt -121.68 139.31 29.78 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.433 175.373 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -90.95 20.31 0.98 Allowed 'Trans proline' 0 N--CA 1.454 -0.823 0 C-N-CA 122.956 2.437 . . . . 0.0 113.438 -173.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' ASP . . . . . 0.793 ' HB2' ' HA ' ' A' ' 69' ' ' MET . 3.9 p30 -154.87 -168.57 2.93 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.683 0.278 . . . . 0.0 111.257 -178.583 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.823 HG13 HD21 ' A' ' 32' ' ' LEU . 3.0 p -65.89 -16.22 20.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -174.317 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.419 ' HB3' HD13 ' B' ' 76' ' ' LEU . . . -51.85 -45.03 63.86 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 179.636 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' GLN . . . . . 0.881 ' HB3' ' HB2' ' B' ' 76' ' ' LEU . 2.8 pt20 -62.05 -31.08 71.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.42 0.628 . . . . 0.0 110.484 -178.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.96 -19.02 62.6 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 114.817 -1.083 . . . . 0.0 110.748 -174.285 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 0.586 HD13 ' CD1' ' A' ' 38' ' ' ILE . 0.5 OUTLIER -85.58 -36.72 20.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.684 -176.924 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' MET . . . . . 0.447 ' HB2' ' CD2' ' B' ' 74' ' ' HIS . 62.9 mtt -56.25 -42.07 76.79 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.814 178.473 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -62.69 -50.99 68.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.07 178.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . 0.4 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 41.4 t60 -62.54 -26.24 68.46 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.708 -171.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.511 HD22 HG13 ' B' ' 92' ' ' ILE . 84.1 mt -87.33 -49.95 6.9 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.933 0.397 . . . . 0.0 110.627 177.278 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.2 -31.95 70.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.389 -176.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -71.01 -20.34 62.41 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -174.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -101.92 -61.1 1.43 Allowed 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -172.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 142.99 64.22 0.02 OUTLIER Glycine 0 N--CA 1.453 -0.207 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -174.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . 1.029 HD11 HD12 ' A' ' 51' ' ' LEU . 4.7 mm -90.52 148.14 4.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -170.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.84 102.88 7.66 Favored Pre-proline 0 C--O 1.233 0.195 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.6 174.386 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 94' ' ' PRO . . . . . 0.742 ' HA ' ' HG3' ' A' ' 42' ' ' GLN . 7.1 Cg_exo -73.41 164.98 33.7 Favored 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 123.111 2.541 . . . . 0.0 112.61 -178.619 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . 0.546 ' HB2' ' HB2' ' A' ' 42' ' ' GLN . . . -73.91 8.74 1.84 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.507 -178.137 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -125.39 84.61 2.3 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.231 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 97' ' ' ASN . . . . . 0.429 ' OD1' ' HG3' ' B' ' 98' ' ' MET . 3.9 p30 -173.05 -37.2 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 178.213 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 98' ' ' MET . . . . . 0.429 ' HG3' ' OD1' ' B' ' 97' ' ' ASN . 90.3 mtp -133.35 133.57 42.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.607 175.391 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -88.12 112.19 22.42 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 177.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 69.93 137.46 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.254 0 O-C-N 124.036 0.835 . . . . 0.0 110.11 -175.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' HIS . . . . . 0.478 ' HE1' ' O ' ' A' ' 41' ' ' ALA . 31.5 m170 -78.3 82.69 4.59 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.498 0.666 . . . . 0.0 110.885 -176.432 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 49.0 mm -79.66 123.96 83.83 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.712 175.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' PRO . . . . . 0.412 ' HA ' ' HD3' ' B' ' 104' ' ' PRO . 18.4 Cg_endo -61.44 119.35 6.44 Favored 'Trans proline' 0 C--O 1.236 0.421 0 C-N-CA 122.602 2.201 . . . . 0.0 112.045 178.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 104' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' B' ' 103' ' ' PRO . 23.8 Cg_exo -64.28 126.3 16.78 Favored 'Trans proline' 0 C--O 1.236 0.407 0 C-N-CA 123.152 2.568 . . . . 0.0 112.187 -179.425 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 105' ' ' ALA . . . . . 0.509 ' HA ' ' HD3' ' B' ' 106' ' ' PRO . . . -79.33 131.22 66.26 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.097 178.157 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 106' ' ' PRO . . . . . 0.509 ' HD3' ' HA ' ' B' ' 105' ' ' ALA . 6.1 Cg_exo -74.47 64.65 5.55 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.971 2.447 . . . . 0.0 111.484 178.59 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -83.55 54.26 2.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.958 -177.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 31.1 p90 . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.373 -0.823 . . . . 0.0 109.921 176.771 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.736 0 N-CA-C 111.871 -0.492 . . . . 0.0 111.871 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -82.5 61.17 5.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.819 0.31 . . . . 0.0 110.941 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.2 mpt? 54.66 61.54 2.94 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.328 0.585 . . . . 0.0 110.601 179.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.2 p -75.65 92.95 3.0 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.783 178.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 114.31 165.49 15.37 Favored Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 111.344 -0.702 . . . . 0.0 111.344 -176.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.568 ' CE1' ' HD2' ' A' ' 66' ' ' ARG . 3.4 p90 -71.62 -9.71 58.66 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.764 0.282 . . . . 0.0 111.386 -179.21 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 1.055 ' HD3' ' HG3' ' A' ' 63' ' ' GLU . 12.2 tppt? 46.09 -91.53 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.219 1.008 . . . . 0.0 112.93 168.303 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -155.57 60.43 0.62 Allowed 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 176.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 6' ' ' PHE . 57.8 t -77.81 -16.42 14.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-O 121.701 0.762 . . . . 0.0 109.071 179.406 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.6 m 66.57 19.5 10.84 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 114.421 -1.263 . . . . 0.0 111.044 176.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 49.5 m170 -99.89 -50.69 3.93 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 173.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.839 HG22 HD21 ' A' ' 62' ' ' LEU . 2.9 t 58.47 5.54 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 CA-C-N 114.867 -1.061 . . . . 0.0 113.543 167.665 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 66.98 28.81 73.94 Favored Glycine 0 C--N 1.33 0.229 0 C-N-CA 120.483 -0.865 . . . . 0.0 110.997 -171.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.425 ' CZ2' ' HA ' ' A' ' 16' ' ' PRO . 70.0 t90 -116.16 142.04 47.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.377 -0.412 . . . . 0.0 111.242 -172.667 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -122.62 133.25 24.33 Favored Pre-proline 0 C--N 1.325 -0.492 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 174.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.425 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 10.1 Cg_endo -52.03 -27.37 28.53 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 123.642 2.895 . . . . 0.0 114.459 -175.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -104.83 -52.78 2.8 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.719 -0.392 . . . . 0.0 111.676 179.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -74.82 -17.78 60.56 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.635 -173.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.6 -157.03 26.2 Favored Glycine 0 N--CA 1.441 -0.996 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.959 176.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.422 ' HB3' HD21 ' A' ' 25' ' ' LEU . 94.4 m-85 -78.56 139.55 38.6 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.372 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -74.21 105.56 5.45 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 176.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.661 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 17.8 m -74.7 -3.26 4.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.495 -172.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -90.69 -32.95 15.98 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.944 0.402 . . . . 0.0 109.977 175.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.421 ' HA ' HD22 ' A' ' 24' ' ' ASN . 8.5 m120 -113.0 33.45 5.04 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.405 179.454 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.661 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 19.7 mt -69.38 123.31 20.9 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.615 175.292 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -63.55 140.43 97.76 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.934 177.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -41.14 -53.53 2.97 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 124.202 3.268 . . . . 0.0 114.004 -175.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.69 -49.44 73.14 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.708 -176.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.491 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 90.1 mt -56.15 -46.77 79.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.088 0.47 . . . . 0.0 110.569 175.492 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -34.78 76.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.232 -177.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.3 t -67.8 -51.6 46.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.826 175.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.759 HD13 HG13 ' B' ' 79' ' ' VAL . 50.0 tp -57.49 -57.26 13.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.961 -1.018 . . . . 0.0 112.582 -175.236 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.491 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 20.3 m-85 -59.43 -38.42 80.62 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.914 -170.662 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.7 t -66.03 -36.57 83.61 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.835 178.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.529 ' HB3' ' HG ' ' B' ' 76' ' ' LEU . 99.3 mtt180 -67.75 -39.41 84.21 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.4 0.619 . . . . 0.0 110.327 176.289 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.466 ' HB1' ' HB3' ' B' ' 83' ' ' LEU . . . -70.88 -11.27 60.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.769 -174.338 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.88 -1.51 58.0 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.794 178.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.602 HD13 HD13 ' A' ' 52' ' ' ILE . 8.6 mt -79.7 104.91 8.41 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.683 0 CA-C-O 120.977 0.418 . . . . 0.0 110.322 179.011 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.421 ' HB3' ' CB ' ' B' ' 95' ' ' ALA . 44.7 t -68.04 159.36 30.96 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.114 175.628 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -53.21 -38.52 62.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.913 0.387 . . . . 0.0 111.066 178.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.51 -41.13 98.53 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.09 0.471 . . . . 0.0 110.634 177.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 1.146 ' HG2' HG21 ' A' ' 48' ' ' THR . 8.5 tt0 -65.73 -28.23 68.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.64 -178.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 84.1 mt -70.79 -17.78 62.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.901 176.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 38.2 p -108.04 12.46 26.88 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.771 178.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.55 ' OD2' ' HA ' ' A' ' 42' ' ' GLN . 17.8 m-20 -89.84 135.06 33.86 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.91 172.651 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.48 -69.51 0.12 Allowed 'General case' 0 C--O 1.237 0.415 0 N-CA-C 113.326 0.862 . . . . 0.0 113.326 -169.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.432 ' H ' ' CD ' ' A' ' 47' ' ' GLU . 1.2 pm0 -62.97 -37.26 86.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.927 0.394 . . . . 0.0 110.817 -173.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 1.146 HG21 ' HG2' ' A' ' 42' ' ' GLN . 19.2 m -61.38 -55.93 26.02 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.031 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.0 t -61.51 -41.88 97.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.342 -173.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.425 ' HA ' ' HZ2' ' A' ' 14' ' ' TRP . 85.6 tttt -65.35 -38.35 89.83 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.599 -179.087 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.551 HD12 HD11 ' B' ' 92' ' ' ILE . 62.5 mt -75.36 -25.97 58.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.246 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.621 ' O ' ' HB3' ' A' ' 55' ' ' PHE . 57.0 mt -65.65 -43.68 93.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 CA-C-O 121.006 0.432 . . . . 0.0 110.321 170.193 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.546 ' HE1' HG21 ' A' ' 12' ' ' VAL . 88.4 t80 -65.96 -43.33 88.26 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 177.022 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.517 ' HB3' ' HA ' ' A' ' 51' ' ' LEU . 8.6 t70 -54.74 -35.09 63.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.418 173.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.87 ' HE1' ' HG3' ' B' ' 82' ' ' ARG . 35.4 t80 -66.11 -51.8 54.57 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.84 -1.073 . . . . 0.0 110.802 176.681 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 88.0 mt -57.99 -43.45 84.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.507 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -54.64 -52.59 61.81 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.617 172.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -56.82 -31.81 65.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.135 -0.939 . . . . 0.0 112.201 -178.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 85.1 mm-40 -78.89 -11.32 59.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.84 0.353 . . . . 0.0 111.416 -178.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.67 0.72 15.47 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.356 178.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 117.87 -165.14 12.65 Favored Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 120.862 -0.685 . . . . 0.0 111.766 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.839 HD21 HG22 ' A' ' 12' ' ' VAL . 9.1 mp -78.37 -44.52 24.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 117.147 0.473 . . . . 0.0 111.597 -170.001 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 1.055 ' HG3' ' HD3' ' A' ' 7' ' ' LYS . 11.1 mm-40 -60.15 -38.06 82.0 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.158 -177.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.571 ' O ' ' HG2' ' A' ' 68' ' ' GLU . . . -57.55 -52.92 63.42 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.239 179.076 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.47 ' CG1' HD22 ' A' ' 32' ' ' LEU . 87.6 t -58.39 -38.81 71.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.176 -176.254 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.568 ' HD2' ' CE1' ' A' ' 6' ' ' PHE . 69.9 mtp180 -61.16 -34.73 75.49 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.855 179.091 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -94.77 -20.83 19.16 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.965 -173.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.685 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 27.8 mm-40 -56.4 -24.48 45.03 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 120.72 0.295 . . . . 0.0 110.775 179.221 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.664 ' HA ' ' HB2' ' B' ' 78' ' ' ASP . 51.2 mtt -57.82 -25.19 60.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.341 178.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -126.44 13.75 7.63 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.812 178.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.685 ' HB3' ' HA ' ' A' ' 68' ' ' GLU . 3.5 tmt_? -123.62 -55.37 1.73 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.065 -173.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.488 HE22 ' HB2' ' B' ' 82' ' ' ARG . 45.3 tt0 . . . . . 0 C--O 1.246 0.906 0 CA-C-O 118.542 -0.742 . . . . 0.0 110.521 -177.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.81 0 N-CA-C 111.813 -0.515 . . . . 0.0 111.813 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . 0.942 ' HB2' ' HB2' ' B' ' 81' ' ' GLN . 86.4 m-70 -129.28 -79.16 0.56 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 178.174 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' MET . . . . . 0.477 ' H ' ' HB2' ' B' ' 81' ' ' GLN . 26.5 mmt -129.99 -84.2 0.54 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.949 0.404 . . . . 0.0 110.467 179.718 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . 0.529 ' HG ' ' HB3' ' A' ' 35' ' ' ARG . 2.7 mm? -59.76 147.92 77.18 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.449 176.545 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -83.14 28.63 0.57 Allowed 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 123.094 2.529 . . . . 0.0 113.019 -173.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' ASP . . . . . 0.664 ' HB2' ' HA ' ' A' ' 69' ' ' MET . 3.6 p30 -153.65 -168.1 2.88 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.276 -178.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.759 HG13 HD13 ' A' ' 32' ' ' LEU . 2.3 p -53.68 -25.31 11.32 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 O-C-N 123.589 0.556 . . . . 0.0 112.367 -178.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.565 ' HB2' HD12 ' A' ' 32' ' ' LEU . . . -55.42 -27.61 48.93 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' GLN . . . . . 0.942 ' HB2' ' HB2' ' B' ' 74' ' ' HIS . 3.2 pt20 -70.38 -32.98 70.87 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.477 0.656 . . . . 0.0 110.368 179.304 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . 0.87 ' HG3' ' HE1' ' A' ' 55' ' ' PHE . 5.7 tpm_? -76.19 -24.18 54.72 Favored 'General case' 0 N--CA 1.436 -1.145 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.255 -175.285 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 0.604 ' HG ' ' CE2' ' A' ' 55' ' ' PHE . 0.6 OUTLIER -74.23 -43.26 57.78 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.84 -1.073 . . . . 0.0 110.48 179.858 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' MET . . . . . 0.408 ' HG2' ' O ' ' A' ' 36' ' ' ALA . 64.4 mtt -53.24 -50.22 65.22 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 121.347 0.594 . . . . 0.0 110.507 -178.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . 0.63 ' O ' ' HG3' ' B' ' 89' ' ' GLU . 21.7 mm-40 -64.07 -48.73 75.08 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.54 -179.237 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . 0.431 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 65.9 t60 -56.05 -33.81 65.31 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.866 -172.353 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.551 HD22 HG12 ' B' ' 92' ' ' ILE . 75.2 mt -80.41 -52.09 8.07 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.115 0.483 . . . . 0.0 110.59 179.178 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.43 -25.02 64.0 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.573 -177.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.63 ' HG3' ' O ' ' B' ' 85' ' ' GLN . 46.4 mt-10 -64.73 -23.99 67.42 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -104.58 -74.2 0.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.562 -0.455 . . . . 0.0 112.005 -174.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 162.75 44.65 0.02 OUTLIER Glycine 0 C--O 1.229 -0.156 0 C-N-CA 120.386 -0.912 . . . . 0.0 112.622 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . 0.551 HD11 HD12 ' A' ' 51' ' ' LEU . 1.7 mp -60.73 135.91 24.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.216 0.531 . . . . 0.0 112.17 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -90.24 100.14 2.42 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 171.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 94' ' ' PRO . . . . . 0.438 ' HA ' ' HG3' ' A' ' 42' ' ' GLN . 83.4 Cg_endo -83.77 109.49 1.53 Allowed 'Trans proline' 0 N--CA 1.455 -0.754 0 C-N-CA 121.936 1.757 . . . . 0.0 115.053 -164.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . 0.595 ' HB2' ' HB2' ' A' ' 42' ' ' GLN . . . 65.04 -69.03 0.1 Allowed 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 115.197 1.555 . . . . 0.0 115.197 162.313 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . 0.537 ' HB2' ' O ' ' B' ' 95' ' ' ALA . 36.7 mmt180 78.05 -16.44 0.66 Allowed 'General case' 0 C--N 1.32 -0.711 0 O-C-N 124.439 1.087 . . . . 0.0 110.275 -168.393 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 97' ' ' ASN . . . . . 0.421 ' H ' ' C ' ' B' ' 95' ' ' ALA . 28.4 t-20 72.18 -41.41 0.5 Allowed 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.053 0.941 . . . . 0.0 112.55 174.53 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 98' ' ' MET . . . . . . . . . . . . . 21.4 mmt -70.73 149.54 46.82 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 177.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -82.9 62.6 6.56 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.298 0.571 . . . . 0.0 110.918 -177.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -73.46 -23.34 60.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.573 176.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 14.9 m80 -82.07 107.11 14.52 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 170.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' ILE . . . . . 0.43 ' HA ' ' HD3' ' B' ' 103' ' ' PRO . 32.8 pt -64.6 119.99 61.86 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-O 121.206 0.527 . . . . 0.0 111.664 -172.429 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' B' ' 102' ' ' ILE . 29.3 Cg_exo -62.42 125.09 15.47 Favored 'Trans proline' 0 C--O 1.236 0.379 0 C-N-CA 122.929 2.419 . . . . 0.0 111.671 177.135 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 104' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -58.72 150.95 67.15 Favored 'Trans proline' 0 C--O 1.236 0.404 0 C-N-CA 123.146 2.564 . . . . 0.0 112.183 -179.185 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.37 123.43 73.41 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.602 178.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 106' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -64.62 129.52 23.87 Favored 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 122.782 2.321 . . . . 0.0 112.699 -177.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -90.02 26.72 1.77 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.606 178.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 18.0 t90 . . . . . 0 C--O 1.25 1.085 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.959 -178.133 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.704 0 N-CA-C 111.847 -0.501 . . . . 0.0 111.847 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 9.7 p-80 -95.83 100.39 12.09 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.361 0.601 . . . . 0.0 110.947 -178.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 66.0 mtt -96.15 -70.27 0.72 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.576 176.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.0 p 171.51 -39.94 0.0 OUTLIER 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.121 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 107.7 -19.05 34.02 Favored Glycine 0 N--CA 1.449 -0.49 0 N-CA-C 110.028 -1.229 . . . . 0.0 110.028 -173.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.407 ' HA ' ' O ' ' A' ' 60' ' ' GLY . 74.2 t80 -80.43 93.88 6.09 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 114.586 -0.807 . . . . 0.0 110.076 178.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.566 ' HD3' ' OE2' ' A' ' 57' ' ' GLU . 35.9 ttpt 68.88 159.16 0.17 Allowed 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.933 -179.231 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.461 ' N ' ' HG2' ' A' ' 7' ' ' LYS . 76.4 m-70 -134.54 161.26 35.57 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 175.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 29.7 m -86.93 -18.76 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.383 -162.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.2 m -70.51 -5.54 29.63 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.487 176.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 63.0 m80 62.68 22.42 13.33 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.377 -0.829 . . . . 0.0 108.955 -169.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.606 HG22 HD11 ' A' ' 62' ' ' LEU . 21.3 t 63.66 -74.42 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 CA-C-N 114.387 -1.279 . . . . 0.0 111.884 -179.269 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -171.07 25.71 0.1 OUTLIER Glycine 0 N--CA 1.448 -0.534 0 N-CA-C 110.363 -1.095 . . . . 0.0 110.363 177.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.508 ' CZ2' ' HA ' ' A' ' 16' ' ' PRO . 71.7 t90 -110.25 135.78 50.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.318 -0.441 . . . . 0.0 111.288 -174.102 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -116.38 133.6 22.95 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.586 -0.733 . . . . 0.0 109.691 173.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.508 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 81.0 Cg_exo -43.7 -39.86 10.51 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 124.76 3.64 . . . . 0.0 115.066 -175.162 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -105.61 -28.98 10.43 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -176.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -97.12 -16.29 20.54 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -171.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 86.82 -162.41 34.18 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.59 177.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -78.78 151.06 32.2 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.436 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 31.2 t70 -86.2 114.21 22.84 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 171.233 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.641 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 17.0 m -78.05 -2.92 5.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.63 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.966 -173.347 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -87.61 -47.93 8.3 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.138 175.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.406 HD22 ' HA ' ' A' ' 24' ' ' ASN . 9.0 m120 -99.1 45.96 0.99 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.08 0.467 . . . . 0.0 110.731 176.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.641 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 13.2 mt -81.59 122.33 27.45 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.564 175.726 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -53.04 129.58 49.0 Favored Pre-proline 0 C--N 1.328 -0.328 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 174.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -49.73 -34.23 34.86 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 124.092 3.195 . . . . 0.0 114.051 -174.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.486 ' CG ' ' HE ' ' A' ' 66' ' ' ARG . 1.0 OUTLIER -75.23 -44.82 44.06 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 179.372 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.494 HD21 HD22 ' A' ' 62' ' ' LEU . 94.9 mt -58.45 -46.51 86.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.955 0.407 . . . . 0.0 109.983 175.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.8 ttp180 -60.38 -41.14 93.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.592 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.6 t -57.65 -49.39 76.62 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.208 0.528 . . . . 0.0 109.917 176.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.576 HD13 HG23 ' B' ' 79' ' ' VAL . 11.6 tp -62.48 -59.75 4.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.37 -0.832 . . . . 0.0 112.174 -177.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.46 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 9.5 m-30 -60.54 -33.75 73.12 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.593 -170.455 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.1 t -66.43 -36.47 82.87 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.721 177.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -68.98 -34.09 74.75 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.131 0.491 . . . . 0.0 110.474 176.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.01 -15.04 60.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.797 -175.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.02 -2.66 59.96 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.186 178.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.656 HD13 ' CD1' ' A' ' 52' ' ' ILE . 5.3 mt -74.85 112.06 11.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 177.376 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.4 t -90.16 174.82 7.41 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.583 -177.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.482 ' HA ' HG11 ' A' ' 22' ' ' VAL . 1.7 mp0 -52.0 -48.17 64.58 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.936 0.398 . . . . 0.0 111.365 -176.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.89 -36.65 81.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.205 0.526 . . . . 0.0 111.038 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.801 ' HG3' HG21 ' A' ' 48' ' ' THR . 3.8 tp60 -77.41 -27.32 52.29 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.636 -176.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.0 mt -74.82 -14.21 60.66 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.402 174.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.8 p -107.84 11.86 27.75 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 121.858 0.837 . . . . 0.0 109.423 178.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.601 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 34.0 t70 -80.43 163.23 23.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.422 175.421 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.46 -69.78 0.51 Allowed 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 -175.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -73.53 -36.12 65.64 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.771 -176.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.801 HG21 ' HG3' ' A' ' 42' ' ' GLN . 20.9 m -54.51 -50.33 68.08 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 111.76 0.281 . . . . 0.0 111.76 176.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 92.7 p -70.3 -39.71 74.67 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 120.873 -0.331 . . . . 0.0 111.557 -173.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -58.65 -43.42 89.81 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.956 -176.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.655 HD12 HG13 ' B' ' 92' ' ' ILE . 45.1 mt -66.45 -34.45 77.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.403 -178.383 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.656 ' CD1' HD13 ' A' ' 38' ' ' ILE . 34.2 mt -62.89 -45.22 99.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.144 176.147 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -63.43 -43.62 96.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.227 0.537 . . . . 0.0 109.918 178.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.36 -43.51 92.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.79 174.006 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.713 ' HE1' ' HG3' ' B' ' 82' ' ' ARG . 41.5 t80 -56.19 -46.84 79.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.01 176.161 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.696 HG21 HD23 ' A' ' 62' ' ' LEU . 96.5 mt -61.07 -43.83 97.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.068 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.566 ' OE2' ' HD3' ' A' ' 7' ' ' LYS . 40.4 tt0 -64.64 -37.7 88.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.135 0.493 . . . . 0.0 110.131 176.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -62.88 -30.0 71.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.554 -178.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.522 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 62.3 mm-40 -86.14 -15.23 41.71 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.933 0.396 . . . . 0.0 111.36 -178.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' A' ' 6' ' ' PHE . . . 118.38 10.31 8.82 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.347 -0.93 . . . . 0.0 112.625 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.88 174.19 22.12 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.7 176.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.696 HD23 HG21 ' A' ' 56' ' ' ILE . 65.0 mt -52.54 -53.1 50.72 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.689 0.756 . . . . 0.0 111.607 -176.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -70.16 -22.41 62.98 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.871 -1.059 . . . . 0.0 112.042 -170.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.7 -37.71 48.99 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.181 0.515 . . . . 0.0 109.85 174.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.764 HG13 HG11 ' B' ' 79' ' ' VAL . 54.0 t -61.47 -36.6 74.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.229 176.498 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 73.3 mtp180 -59.14 -37.85 78.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.491 176.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -68.25 -41.46 81.1 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.03 -178.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.626 ' HG3' ' HA ' ' A' ' 65' ' ' VAL . 1.9 mm-40 -49.93 -35.74 25.15 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.872 0.732 . . . . 0.0 111.128 179.351 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.55 ' HA ' ' HB2' ' B' ' 78' ' ' ASP . 39.5 mtt -56.93 -38.65 73.19 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.885 -176.459 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.29 21.48 13.58 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.041 -177.491 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.5 tmm_? -135.28 -62.58 0.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.274 -177.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 . . . . . 0 C--O 1.25 1.1 0 O-C-N 123.743 0.652 . . . . 0.0 110.521 -174.68 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.968 0 N-CA-C 112.639 -0.184 . . . . 0.0 112.639 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . 0.461 ' HB3' ' HB2' ' B' ' 81' ' ' GLN . 67.7 m80 -139.79 48.1 1.82 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 176.365 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' MET . . . . . . . . . . . . . 63.6 mtm -79.33 58.57 2.62 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.188 0.518 . . . . 0.0 111.254 -176.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . 0.849 ' HB2' ' HB3' ' B' ' 81' ' ' GLN . 4.0 mm? -110.81 137.92 20.95 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.676 176.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' B' ' 76' ' ' LEU . 64.4 Cg_endo -94.04 25.7 0.36 Allowed 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 123.286 2.658 . . . . 0.0 112.514 -178.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' ASP . . . . . 0.55 ' HB2' ' HA ' ' A' ' 69' ' ' MET . 4.1 p30 -160.12 -167.38 1.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.538 -174.49 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.764 HG11 HG13 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -44.47 -34.39 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 114.847 -1.069 . . . . 0.0 113.513 177.679 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.419 ' O ' ' HG3' ' B' ' 84' ' ' MET . . . -53.91 -43.73 69.97 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 -170.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' GLN . . . . . 0.849 ' HB3' ' HB2' ' B' ' 76' ' ' LEU . 3.1 pt20 -69.37 -34.21 74.22 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.616 0.722 . . . . 0.0 109.638 179.279 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . 0.713 ' HG3' ' HE1' ' A' ' 55' ' ' PHE . 17.7 tpt180 -73.48 -16.8 61.29 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.503 -1.226 . . . . 0.0 110.142 -178.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 0.513 HD13 ' CD2' ' A' ' 55' ' ' PHE . 23.3 tp -94.12 -36.34 12.12 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.926 -176.059 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' MET . . . . . 0.419 ' HG3' ' O ' ' B' ' 80' ' ' ALA . 66.0 mtt -53.93 -48.83 69.81 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.149 0.499 . . . . 0.0 110.038 175.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . 0.455 ' O ' ' HG2' ' B' ' 89' ' ' GLU . 63.9 mt-30 -64.83 -34.86 79.37 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.658 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . 0.515 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 19.5 t60 -63.92 -27.09 68.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.08 -175.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.605 HD12 HG21 ' B' ' 92' ' ' ILE . 2.8 mm? -87.87 -52.75 5.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.009 0.433 . . . . 0.0 110.855 176.116 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -50.5 -40.6 51.8 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 -172.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' B' ' 85' ' ' GLN . 17.6 mm-40 -62.08 -20.69 64.27 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -175.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -102.74 5.73 39.04 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -174.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 76.95 20.34 76.15 Favored Glycine 0 C--N 1.328 0.124 0 C-N-CA 120.145 -1.026 . . . . 0.0 112.389 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . 0.655 HG13 HD12 ' A' ' 51' ' ' LEU . 41.9 mm -58.62 148.54 6.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 C-N-CA 123.442 0.697 . . . . 0.0 110.897 178.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 23.8 mp0 -75.85 135.05 71.25 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.329 -177.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_exo -66.6 151.42 82.84 Favored 'Trans proline' 0 C--O 1.236 0.398 0 C-N-CA 122.675 2.25 . . . . 0.0 110.921 171.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . 0.432 ' HA ' ' OE1' ' A' ' 42' ' ' GLN . . . -66.02 84.52 0.08 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.253 0.549 . . . . 0.0 110.715 178.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -88.03 -88.11 0.15 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.397 -178.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 177.13 -26.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.573 -176.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 98' ' ' MET . . . . . . . . . . . . . 51.3 tpp -46.35 114.2 0.77 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.751 -178.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.94 -12.31 60.61 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.043 -179.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -75.26 89.49 2.56 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.089 0.471 . . . . 0.0 110.542 178.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 48.6 m-70 -104.88 11.71 33.35 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 171.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 40.6 mm -115.36 132.27 23.17 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.92 -169.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 103' ' ' PRO . . . . . 0.403 ' HA ' ' HD3' ' B' ' 104' ' ' PRO . 30.0 Cg_endo -65.75 127.73 18.49 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.327 2.018 . . . . 0.0 110.824 170.421 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 104' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' B' ' 103' ' ' PRO . 60.6 Cg_exo -51.6 132.18 39.89 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.901 2.401 . . . . 0.0 112.623 -178.007 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.38 116.28 45.67 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.294 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 106' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -68.08 102.12 0.76 Allowed 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.742 2.295 . . . . 0.0 112.714 -175.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -101.25 149.05 24.41 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 173.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 9.9 m-90 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.55 -0.738 . . . . 0.0 110.491 -174.055 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.786 0 N-CA-C 111.982 -0.447 . . . . 0.0 111.982 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 13.8 p-80 -87.4 123.98 32.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.226 0.536 . . . . 0.0 109.757 176.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 72.1 mtm -101.48 61.48 0.92 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.451 0.643 . . . . 0.0 111.08 -176.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.8 t -103.08 117.64 35.01 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 174.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -57.41 -39.31 90.34 Favored Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 115.163 -0.926 . . . . 0.0 114.122 -172.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -140.7 109.51 6.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.336 0.589 . . . . 0.0 111.013 -178.726 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.888 ' HB2' ' HA3' ' A' ' 61' ' ' GLY . 20.6 pttm -76.78 -11.52 59.85 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.703 -179.516 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -134.15 75.58 1.6 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.552 -175.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.4 p -114.48 -31.48 2.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.127 0.489 . . . . 0.0 111.243 -179.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.7 m -81.67 0.03 40.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.404 -177.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 35.2 m80 63.1 6.47 2.31 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-O 120.891 0.377 . . . . 0.0 110.529 -170.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.62 HG13 HD21 ' A' ' 62' ' ' LEU . 26.3 t 68.27 -11.46 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 123.462 0.705 . . . . 0.0 112.097 178.072 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 72.55 27.39 69.55 Favored Glycine 0 N--CA 1.45 -0.398 0 N-CA-C 110.389 -1.084 . . . . 0.0 110.389 -173.15 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.718 ' CZ2' ' HA ' ' A' ' 16' ' ' PRO . 67.2 t90 -126.4 141.0 52.05 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.151 -0.525 . . . . 0.0 111.218 -173.25 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.542 ' HB2' ' HB2' ' A' ' 18' ' ' ASN . 2.2 m-20 -124.32 129.24 24.77 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.417 173.179 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.718 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 95.9 Cg_exo -43.86 -45.85 11.07 Favored 'Trans proline' 0 N--CA 1.472 0.254 0 C-N-CA 123.643 2.895 . . . . 0.0 114.624 -171.52 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -103.16 -4.57 24.24 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 111.887 0.329 . . . . 0.0 111.887 -174.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.542 ' HB2' ' HB2' ' A' ' 15' ' ' ASP . 17.7 m120 -108.11 -35.9 6.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.585 0.231 . . . . 0.0 111.317 -176.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.527 ' HA2' ' OG ' ' A' ' 49' ' ' SER . . . 108.54 -163.57 12.74 Favored Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 121.029 -0.605 . . . . 0.0 112.576 179.093 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.411 ' CD1' ' HB2' ' A' ' 14' ' ' TRP . 89.3 m-85 -88.44 132.78 34.33 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 177.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -77.59 80.49 4.07 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 176.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.615 ' HA ' ' HB3' ' A' ' 25' ' ' LEU . 3.6 p -50.69 -26.03 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 C-N-CA 123.682 0.793 . . . . 0.0 112.242 -177.059 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -69.39 -40.16 77.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.861 0.362 . . . . 0.0 110.545 178.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -117.12 43.45 2.3 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.721 0.772 . . . . 0.0 109.035 178.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.615 ' HB3' ' HA ' ' A' ' 22' ' ' VAL . 0.1 OUTLIER -99.94 133.72 43.9 Favored 'General case' 0 N--CA 1.438 -1.025 0 CA-C-N 114.517 -1.219 . . . . 0.0 109.912 -172.576 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -54.43 132.1 62.68 Favored Pre-proline 0 N--CA 1.466 0.327 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.923 -173.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -53.29 -38.89 82.46 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 124.282 3.321 . . . . 0.0 113.957 -177.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -71.64 -37.87 70.79 Favored 'General case' 0 CA--C 1.519 -0.242 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.281 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.573 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 98.3 mt -64.69 -42.97 94.93 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 175.178 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -56.2 -41.41 75.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.929 176.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.5 t -58.66 -49.35 77.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.505 175.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.834 HD13 HG13 ' B' ' 79' ' ' VAL . 57.2 tp -64.39 -55.17 22.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.396 -0.82 . . . . 0.0 112.11 -175.348 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.582 ' HB3' ' HB ' ' A' ' 38' ' ' ILE . 12.4 m-30 -61.69 -37.17 83.12 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.226 -171.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.3 t -63.24 -26.78 68.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 177.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 35.5 mtt180 -80.6 -35.57 33.92 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.773 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.4 -28.56 62.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.395 -177.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.64 -3.56 23.16 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.427 -0.892 . . . . 0.0 111.79 -176.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.674 HD13 HD13 ' A' ' 52' ' ' ILE . 43.0 mt -63.45 115.21 2.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 C-N-CA 122.688 0.395 . . . . 0.0 111.068 178.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.444 ' HB3' ' O ' ' B' ' 95' ' ' ALA . 97.5 p -88.85 179.57 6.18 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.859 179.265 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -57.73 -40.93 80.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.216 0.531 . . . . 0.0 109.652 172.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.579 ' HA ' ' HE1' ' B' ' 101' ' ' HIS . . . -66.06 -32.03 73.26 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.867 -179.599 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.611 ' HB3' HG21 ' A' ' 48' ' ' THR . 32.1 mt-30 -77.0 -38.66 52.68 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.07 179.019 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.525 HD21 ' CD2' ' A' ' 33' ' ' PHE . 28.4 mt -65.31 -24.75 67.36 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.734 176.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.7 p -106.72 15.29 25.82 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.447 0.641 . . . . 0.0 110.271 178.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.481 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 30.8 t70 -90.37 135.15 33.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.002 176.223 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.95 -55.9 22.75 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-O 121.572 0.701 . . . . 0.0 111.044 179.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -70.36 -54.64 11.66 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 114.748 -1.115 . . . . 0.0 111.052 -170.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.627 ' O ' HG13 ' A' ' 52' ' ' ILE . 17.5 m -51.44 -63.74 1.04 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.469 -0.787 . . . . 0.0 112.289 -179.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.555 ' HA ' HD12 ' A' ' 52' ' ' ILE . 97.6 p -59.91 -43.54 94.79 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -172.652 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.535 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 81.9 tttt -61.28 -38.64 87.52 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.715 -176.332 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.765 HD12 HD11 ' B' ' 92' ' ' ILE . 78.2 mt -81.36 -27.76 34.74 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.046 179.28 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.674 HD13 HD13 ' A' ' 38' ' ' ILE . 99.0 mt -58.64 -48.16 86.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 120.643 0.259 . . . . 0.0 110.381 171.006 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.43 ' CE1' HG21 ' A' ' 12' ' ' VAL . 62.5 t80 -61.62 -46.0 91.67 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.818 0.342 . . . . 0.0 110.567 178.521 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -54.55 -35.68 63.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.254 176.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.635 ' HB2' ' CD2' ' B' ' 86' ' ' HIS . 38.7 t80 -65.35 -49.8 68.01 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.01 174.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.516 HG23 HG21 ' A' ' 65' ' ' VAL . 98.2 mt -59.53 -37.66 71.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.49 -177.569 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -72.91 -20.25 61.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.256 0.55 . . . . 0.0 109.953 178.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.558 ' HB3' ' O ' ' A' ' 55' ' ' PHE . 27.7 t70 -70.82 -34.58 71.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.107 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -76.37 -20.25 57.36 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.819 0.342 . . . . 0.0 110.628 176.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.46 21.9 3.88 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.458 -0.877 . . . . 0.0 112.944 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.888 ' HA3' ' HB2' ' A' ' 7' ' ' LYS . . . 110.91 -177.74 19.38 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.474 -0.87 . . . . 0.0 113.058 173.331 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.62 HD21 HG13 ' A' ' 12' ' ' VAL . 96.5 mt -59.29 -52.02 67.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.766 0.317 . . . . 0.0 111.732 -176.159 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 10.9 mm-40 -62.43 -31.27 71.94 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.453 -175.658 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.78 -39.5 87.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.934 0.397 . . . . 0.0 110.897 -179.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.516 HG21 HG23 ' A' ' 56' ' ' ILE . 98.7 t -68.4 -30.36 47.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.492 0.663 . . . . 0.0 110.305 178.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.48 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 73.5 mtp180 -70.14 -26.81 64.12 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.909 177.313 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' A' ' 63' ' ' GLU . 51.5 mt-30 -72.42 -35.64 68.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.428 174.596 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.738 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 46.4 mm-40 -58.53 -25.15 62.14 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.681 178.057 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.518 ' C ' ' HD2' ' A' ' 70' ' ' ARG . 21.0 mmt -61.1 -19.17 61.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.855 177.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.518 ' HD2' ' C ' ' A' ' 69' ' ' MET . 3.4 mpt_? -123.74 15.3 9.42 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 177.243 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.738 ' HB3' ' HA ' ' A' ' 68' ' ' GLU . 23.8 ttt180 -126.86 -83.35 0.62 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -174.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 0.994 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 -166.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.569 0 N-CA-C 111.606 -0.598 . . . . 0.0 111.606 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -120.06 97.62 5.69 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.106 0.479 . . . . 0.0 109.836 177.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' MET . . . . . . . . . . . . . 15.2 tpt -138.68 117.07 11.98 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.06 179.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . 0.949 HD23 ' HB3' ' B' ' 80' ' ' ALA . 9.0 tp -167.4 150.81 6.01 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 -178.277 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' PRO . . . . . 0.911 ' HD2' ' HG ' ' B' ' 76' ' ' LEU . 89.9 Cg_endo -80.71 11.52 2.91 Favored 'Trans proline' 0 C--O 1.234 0.325 0 C-N-CA 122.549 2.166 . . . . 0.0 113.761 -169.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -153.31 -170.01 3.48 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.414 0.626 . . . . 0.0 111.735 -177.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.834 HG13 HD13 ' A' ' 32' ' ' LEU . 2.0 p -61.2 -20.21 21.92 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 CA-C-N 114.741 -1.118 . . . . 0.0 113.071 -175.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.949 ' HB3' HD23 ' B' ' 76' ' ' LEU . . . -52.85 -38.47 61.54 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -176.474 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' GLN . . . . . 0.479 ' HG3' ' N ' ' B' ' 82' ' ' ARG . 3.0 pt20 -64.27 -37.91 89.17 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.346 0.594 . . . . 0.0 110.629 -178.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . 0.622 ' HG2' ' HE1' ' A' ' 55' ' ' PHE . 38.7 ttm180 -72.93 -16.15 61.55 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.896 -176.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 0.655 HD21 HD11 ' A' ' 38' ' ' ILE . 29.5 tp -90.18 -37.37 14.21 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.069 -177.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' MET . . . . . 0.495 ' HG3' ' O ' ' B' ' 80' ' ' ALA . 55.7 mtt -54.72 -41.03 69.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.318 178.088 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . 0.613 ' O ' ' HG2' ' B' ' 89' ' ' GLU . 2.5 tt0 -73.68 -40.77 63.42 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.855 -178.213 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . 0.635 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 48.9 t60 -57.05 -34.6 68.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.452 -175.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.537 ' HB3' ' CG1' ' B' ' 92' ' ' ILE . 27.1 mt -85.74 -42.38 14.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.027 0.442 . . . . 0.0 110.742 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.92 -33.69 64.91 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.269 -0.878 . . . . 0.0 112.095 -178.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.613 ' HG2' ' O ' ' B' ' 85' ' ' GLN . 18.8 mm-40 -58.78 -31.45 68.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.904 0.383 . . . . 0.0 111.697 179.346 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -93.5 -58.42 2.29 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.388 -175.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 147.45 29.1 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.226 -0.988 . . . . 0.0 113.277 179.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . 0.765 HD11 HD12 ' A' ' 51' ' ' LEU . 1.7 mp -55.19 139.83 13.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.956 0.408 . . . . 0.0 111.403 178.032 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -79.98 118.24 71.43 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.668 -176.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 94' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -70.2 135.95 30.65 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 123.026 2.484 . . . . 0.0 112.665 -173.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . 0.444 ' O ' ' HB3' ' A' ' 39' ' ' SER . . . -153.61 71.58 0.88 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.559 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' B' ' 96' ' ' ARG . 11.4 tpt180 -80.95 48.31 1.09 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.966 -178.283 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -153.28 148.59 26.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.727 -178.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 98' ' ' MET . . . . . . . . . . . . . 26.1 mmt -89.96 80.63 6.38 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.11 0.481 . . . . 0.0 111.055 -177.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -95.63 95.53 8.42 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.866 178.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -67.91 114.11 6.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.144 176.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 101' ' ' HIS . . . . . 0.579 ' HE1' ' HA ' ' A' ' 41' ' ' ALA . 48.4 p-80 -112.91 165.43 12.34 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.024 0.44 . . . . 0.0 110.551 -177.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' ILE . . . . . 0.45 ' HA ' ' HD3' ' B' ' 103' ' ' PRO . 56.7 mt -82.6 125.58 75.61 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.601 -175.483 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 103' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' B' ' 102' ' ' ILE . 11.3 Cg_exo -71.41 116.33 4.65 Favored 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.619 2.213 . . . . 0.0 110.97 174.676 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 104' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -86.42 140.08 6.2 Favored 'Trans proline' 0 N--CA 1.456 -0.722 0 C-N-CA 122.64 2.227 . . . . 0.0 113.097 -176.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -85.7 122.85 73.07 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.828 175.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 106' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -42.73 -61.29 0.57 Allowed 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 123.759 2.973 . . . . 0.0 112.899 -174.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 57.2 m-80 -146.3 -53.97 0.25 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.453 0.644 . . . . 0.0 109.274 175.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 78.9 t90 . . . . . 0 C--O 1.25 1.119 0 CA-C-N 115.353 -0.839 . . . . 0.0 109.925 -177.37 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.606 0 N-CA-C 112.073 -0.411 . . . . 0.0 112.073 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 50.2 m80 -129.39 124.31 33.88 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 178.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 22.2 ptp -76.99 140.01 40.27 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.35 -179.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.5 p -83.36 7.91 15.23 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.974 0.416 . . . . 0.0 111.412 -177.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 112.93 -124.24 6.54 Favored Glycine 0 N--CA 1.444 -0.773 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 -177.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.4 ' HB3' HG22 ' A' ' 9' ' ' VAL . 83.9 m-85 -112.02 99.29 7.97 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 178.732 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.3 pttm -73.89 75.89 1.64 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.091 0.472 . . . . 0.0 111.296 -177.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 46.7 p-80 41.85 50.07 4.04 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.027 0.931 . . . . 0.0 111.85 -177.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.4 HG22 ' HB3' ' A' ' 6' ' ' PHE . 30.8 m -79.2 10.84 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.119 -179.259 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.0 t 71.58 -48.25 0.67 Allowed 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 123.669 0.788 . . . . 0.0 112.147 176.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 23.2 t-80 -60.32 -40.0 89.03 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 175.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.516 HG22 HD11 ' A' ' 62' ' ' LEU . 61.6 t 56.07 -89.94 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 CA-C-N 114.835 -1.075 . . . . 0.0 111.637 174.287 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -168.67 26.44 0.12 Allowed Glycine 0 N--CA 1.441 -1.013 0 N-CA-C 108.866 -1.693 . . . . 0.0 108.866 174.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.45 ' CZ2' ' HA ' ' A' ' 16' ' ' PRO . 64.5 t90 -117.18 132.39 56.66 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 114.661 -0.769 . . . . 0.0 111.472 -170.17 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -111.69 132.82 21.72 Favored Pre-proline 0 C--N 1.32 -0.676 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 171.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.45 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 11.7 Cg_endo -54.21 -31.26 65.35 Favored 'Trans proline' 0 CA--C 1.528 0.188 0 C-N-CA 123.527 2.818 . . . . 0.0 114.02 -173.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -106.04 -34.4 7.58 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.998 0.369 . . . . 0.0 111.998 -177.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -94.92 -9.52 33.9 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -173.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.68 -163.19 38.35 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 121.018 -0.61 . . . . 0.0 112.375 178.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.53 ' HE2' ' HB ' ' A' ' 52' ' ' ILE . 67.5 m-85 -73.33 142.54 47.09 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 175.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.482 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 12.8 t70 -83.93 114.29 21.58 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 174.242 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.634 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 24.4 m -71.48 -21.63 21.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 -169.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -96.19 -15.84 21.82 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.465 178.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.429 ' HB2' ' HB3' ' A' ' 21' ' ' ASP . 9.6 m120 -102.04 14.01 33.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.927 0.394 . . . . 0.0 110.243 172.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.634 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 17.9 mt -65.82 147.41 53.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.179 178.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.478 ' HB3' HD12 ' A' ' 29' ' ' LEU . 20.9 t70 -83.69 135.48 43.12 Favored Pre-proline 0 C--N 1.32 -0.674 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.525 178.089 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -42.54 -52.94 4.08 Favored 'Trans proline' 0 C--O 1.237 0.463 0 C-N-CA 123.335 2.69 . . . . 0.0 113.671 -177.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -69.67 -40.14 76.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.115 -176.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.504 HD21 HD22 ' A' ' 62' ' ' LEU . 89.8 mt -57.59 -47.23 82.68 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-O 121.114 0.483 . . . . 0.0 109.926 174.362 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -58.85 -44.39 90.97 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.334 -178.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.403 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 8.2 t -58.78 -49.51 77.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.495 0.664 . . . . 0.0 110.088 176.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.818 HD21 HG13 ' B' ' 79' ' ' VAL . 0.6 OUTLIER -61.58 -56.5 19.21 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.655 -1.157 . . . . 0.0 111.49 -174.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.479 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 14.4 m-30 -55.56 -39.78 71.08 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.763 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.1 t -62.2 -35.8 79.97 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.972 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.403 ' HG3' ' O ' ' A' ' 31' ' ' SER . 99.8 mtt180 -69.65 -40.74 76.29 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 121.016 0.436 . . . . 0.0 110.621 178.269 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.538 ' O ' ' HG2' ' B' ' 84' ' ' MET . . . -64.36 -29.64 70.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.261 -177.107 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.44 -12.54 21.26 Favored Glycine 0 N--CA 1.45 -0.429 0 N-CA-C 111.426 -0.67 . . . . 0.0 111.426 -177.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.59 HD13 ' CD1' ' A' ' 52' ' ' ILE . 43.9 mt -62.72 105.21 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-O 121.118 0.485 . . . . 0.0 110.342 178.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.6 m -81.1 169.34 17.56 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.403 -177.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.507 ' HG3' HG11 ' A' ' 22' ' ' VAL . 43.1 tt0 -50.77 -45.13 58.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.569 -178.396 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.4 -53.96 51.17 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.957 177.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.719 ' HB3' HG21 ' A' ' 48' ' ' THR . 54.5 mt-30 -53.38 -36.04 60.97 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.031 179.141 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.452 HD13 HD11 ' A' ' 25' ' ' LEU . 64.1 mt -72.06 -10.92 60.45 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.322 179.591 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.8 p -113.28 16.34 19.07 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.476 0.655 . . . . 0.0 109.824 174.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -97.45 147.1 24.57 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.168 174.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.77 -68.55 0.35 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -171.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.544 ' H ' ' CD ' ' A' ' 47' ' ' GLU . 1.3 pm0 -64.34 -39.77 94.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.114 -173.181 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.719 HG21 ' HB3' ' A' ' 42' ' ' GLN . 3.6 m -53.54 -58.04 8.57 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.158 176.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 27.9 m -63.47 -36.34 83.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.723 -176.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 47.4 tttp -61.55 -43.58 98.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.867 0.365 . . . . 0.0 110.261 -179.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.682 HD22 HG13 ' B' ' 92' ' ' ILE . 5.2 mp -65.45 -42.42 92.38 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.284 177.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.619 HG13 ' O ' ' A' ' 48' ' ' THR . 57.9 mt -57.4 -48.21 83.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.5 177.421 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -62.25 -44.68 96.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.059 0.457 . . . . 0.0 110.236 179.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.28 -47.46 78.55 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.5 174.366 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.601 ' HE1' ' HG3' ' B' ' 82' ' ' ARG . 56.8 t80 -54.23 -51.03 65.75 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.994 176.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.677 HG21 HD23 ' A' ' 62' ' ' LEU . 94.6 mt -59.46 -43.21 90.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.103 -177.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -68.9 -32.86 72.8 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.994 0.426 . . . . 0.0 110.259 179.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -66.62 -34.12 77.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.678 178.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 84.7 mm-40 -80.94 -10.94 59.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.951 179.224 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.67 -14.79 10.62 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.653 -0.784 . . . . 0.0 113.534 176.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.491 ' O ' HG13 ' A' ' 65' ' ' VAL . . . 132.8 -172.19 21.41 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.321 -0.942 . . . . 0.0 112.762 178.573 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.677 HD23 HG21 ' A' ' 56' ' ' ILE . 70.1 mt -66.68 -58.81 4.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.897 0.379 . . . . 0.0 111.175 -174.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.618 ' HA ' ' HD2' ' A' ' 66' ' ' ARG . 2.3 mp0 -62.55 -26.31 68.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.404 -178.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.521 ' O ' ' HG2' ' A' ' 68' ' ' GLU . . . -64.15 -52.66 57.97 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.198 177.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.574 ' HA ' ' CG ' ' A' ' 68' ' ' GLU . 2.1 m -70.24 -21.53 23.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.222 -179.086 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.618 ' HD2' ' HA ' ' A' ' 63' ' ' GLU . 92.6 mtt180 -60.69 -37.14 80.67 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-O 121.125 0.488 . . . . 0.0 110.099 171.352 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -75.39 -38.2 60.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.462 -179.08 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.869 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 4.4 mm-40 -54.98 -31.88 61.18 Favored 'General case' 0 C--N 1.331 -0.215 0 O-C-N 123.491 0.494 . . . . 0.0 111.235 179.722 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.647 ' HA ' ' OD1' ' B' ' 78' ' ' ASP . 37.0 mtt -50.08 -33.81 19.7 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.47 176.175 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -122.82 28.83 7.08 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.339 176.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.869 ' HB3' ' HA ' ' A' ' 68' ' ' GLU . 33.8 ttt180 -134.05 -74.77 0.48 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -174.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 . . . . . 0 C--O 1.254 1.334 0 CA-C-O 118.338 -0.839 . . . . 0.0 111.725 -172.046 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.796 0 N-CA-C 111.837 -0.505 . . . . 0.0 111.837 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 6.2 m80 65.63 174.86 0.22 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.302 0.572 . . . . 0.0 110.945 -177.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -141.49 -163.85 1.65 Allowed 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 178.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . 0.794 ' HG ' ' HD2' ' B' ' 77' ' ' PRO . 9.1 tp 73.77 147.66 0.12 Allowed Pre-proline 0 CA--C 1.533 0.294 0 O-C-N 123.972 0.795 . . . . 0.0 110.251 179.35 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' PRO . . . . . 0.794 ' HD2' ' HG ' ' B' ' 76' ' ' LEU . 42.3 Cg_endo -93.83 26.18 0.36 Allowed 'Trans proline' 0 N--CA 1.454 -0.817 0 C-N-CA 123.148 2.565 . . . . 0.0 111.63 -174.658 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' ASP . . . . . 0.647 ' OD1' ' HA ' ' A' ' 69' ' ' MET . 18.0 t0 -154.67 159.25 40.64 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.348 -168.335 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.818 HG13 HD21 ' A' ' 32' ' ' LEU . 3.4 p -62.66 -10.84 5.86 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 CA-C-N 114.555 -1.202 . . . . 0.0 111.26 -179.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.664 ' HB3' HD23 ' B' ' 76' ' ' LEU . . . -53.79 -51.87 62.11 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 112.802 0.668 . . . . 0.0 112.802 179.1 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' GLN . . . . . 0.518 ' HB2' ' HB3' ' B' ' 76' ' ' LEU . 1.1 tm0? -68.02 -37.24 81.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.917 0.389 . . . . 0.0 111.172 -175.164 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . 0.601 ' HG3' ' HE1' ' A' ' 55' ' ' PHE . 21.5 tpp180 -55.55 -38.2 69.0 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.563 0.697 . . . . 0.0 109.865 174.313 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 0.531 HD13 ' CD2' ' A' ' 55' ' ' PHE . 45.2 tp -75.95 -40.19 54.54 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.166 -0.924 . . . . 0.0 111.506 -178.589 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' MET . . . . . 0.538 ' HG2' ' O ' ' A' ' 36' ' ' ALA . 66.2 mtt -48.97 -54.03 17.31 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.32 0.581 . . . . 0.0 111.256 -179.193 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -67.53 -29.6 69.04 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.65 -175.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . 0.482 ' HA ' ' OE1' ' B' ' 89' ' ' GLU . 61.9 t60 -67.99 -20.76 65.06 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -176.029 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.714 HD12 HG21 ' B' ' 92' ' ' ILE . 1.9 mm? -85.1 -43.26 14.05 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.375 -0.53 . . . . 0.0 110.365 174.49 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.23 -20.38 66.4 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.15 -176.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.641 ' HG3' ' CD2' ' B' ' 90' ' ' HIS . 9.7 pt-20 -78.38 -10.71 59.8 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -175.544 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . 0.641 ' CD2' ' HG3' ' B' ' 89' ' ' GLU . 95.7 m-70 -124.62 16.22 8.81 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 113.113 0.783 . . . . 0.0 113.113 -175.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 63.38 44.57 96.62 Favored Glycine 0 N--CA 1.458 0.115 0 C-N-CA 120.346 -0.93 . . . . 0.0 112.076 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . 0.714 HG21 HD12 ' B' ' 87' ' ' LEU . 37.8 mm -82.59 144.93 9.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 C-N-CA 123.136 0.575 . . . . 0.0 110.098 -178.529 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -73.72 113.43 22.72 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-O 121.055 0.455 . . . . 0.0 110.829 -176.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 94' ' ' PRO . . . . . 0.625 ' HA ' ' NE2' ' A' ' 42' ' ' GLN . 87.2 Cg_endo -92.93 146.55 2.49 Favored 'Trans proline' 0 N--CA 1.451 -0.998 0 C-N-CA 123.312 2.675 . . . . 0.0 113.594 -177.726 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . 0.503 ' HA ' ' O ' ' B' ' 98' ' ' MET . . . -98.71 3.73 47.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.837 0.827 . . . . 0.0 108.942 170.5 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 5.0 tpt85 -62.05 -36.03 80.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.29 -1.323 . . . . 0.0 110.014 178.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 97' ' ' ASN . . . . . 0.417 ' O ' ' HB2' ' B' ' 98' ' ' MET . 3.1 p30 -135.67 96.75 3.5 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.319 176.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 98' ' ' MET . . . . . 0.503 ' O ' ' HA ' ' B' ' 95' ' ' ALA . 90.7 mmm 67.82 -177.06 0.2 Allowed 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.127 -173.605 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -157.37 90.19 1.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.818 0.342 . . . . 0.0 110.891 -179.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -84.07 81.25 8.88 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 176.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -88.96 102.26 14.89 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.252 -0.885 . . . . 0.0 109.073 -179.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' ILE . . . . . 0.419 ' HA ' ' HD3' ' B' ' 103' ' ' PRO . 63.2 mt -64.75 117.98 43.82 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.838 -172.615 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 103' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' B' ' 102' ' ' ILE . 16.2 Cg_exo -68.97 132.46 24.67 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 123.14 2.56 . . . . 0.0 111.423 176.46 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 104' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -59.5 123.7 13.91 Favored 'Trans proline' 0 C--O 1.235 0.362 0 C-N-CA 122.61 2.207 . . . . 0.0 112.024 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 105' ' ' ALA . . . . . 0.49 ' HA ' ' HD3' ' B' ' 106' ' ' PRO . . . -63.39 136.91 96.91 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.492 178.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 106' ' ' PRO . . . . . 0.49 ' HD3' ' HA ' ' B' ' 105' ' ' ALA . 12.3 Cg_exo -70.54 72.49 1.82 Allowed 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 123.17 2.58 . . . . 0.0 112.413 -178.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 64.8 t30 69.78 172.05 0.3 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.937 177.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 43.1 m95 . . . . . 0 C--O 1.252 1.227 0 CA-C-O 118.387 -0.816 . . . . 0.0 109.545 177.411 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.583 0 N-CA-C 111.859 -0.496 . . . . 0.0 111.859 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 50.8 m-70 -83.29 89.37 6.99 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 122.616 -0.343 . . . . 0.0 111.022 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 15.2 tpt -93.11 1.26 57.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.916 0.865 . . . . 0.0 109.112 174.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.1 p -63.0 -22.64 66.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.807 -1.088 . . . . 0.0 111.208 178.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 112.82 -5.72 25.87 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.13 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -70.57 83.68 0.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.244 0.545 . . . . 0.0 111.597 -179.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -158.89 99.2 1.52 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.676 173.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 57.7 44.27 20.81 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 121.773 0.796 . . . . 0.0 110.732 -178.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.9 m -116.94 105.38 18.14 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.855 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.093 176.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.6 m -78.97 17.03 0.79 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.329 0.585 . . . . 0.0 110.711 178.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.417 ' O ' ' N ' ' A' ' 13' ' ' GLY . 35.2 m80 -95.27 -34.55 12.15 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 168.112 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.634 HG22 HD21 ' A' ' 62' ' ' LEU . 10.5 t 60.18 -72.37 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 O-C-N 124.526 1.142 . . . . 0.0 112.686 173.568 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 11' ' ' HIS . . . 161.97 37.17 0.02 OUTLIER Glycine 0 N--CA 1.442 -0.904 0 N-CA-C 107.762 -2.135 . . . . 0.0 107.762 -173.113 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.561 ' CZ2' ' HA ' ' A' ' 16' ' ' PRO . 57.3 t90 -126.65 143.25 51.29 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 113.93 -1.135 . . . . 0.0 110.582 -167.11 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.589 ' HB3' ' HB2' ' A' ' 18' ' ' ASN . 9.5 t70 -125.18 134.12 25.46 Favored Pre-proline 0 C--N 1.32 -0.683 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 174.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.561 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 3.3 Cg_endo -45.48 -49.23 10.76 Favored 'Trans proline' 0 CA--C 1.53 0.303 0 C-N-CA 124.09 3.193 . . . . 0.0 114.503 -171.21 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -103.07 -1.07 29.79 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 120.743 0.306 . . . . 0.0 111.711 -173.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.589 ' HB2' ' HB3' ' A' ' 15' ' ' ASP . 10.2 m120 -112.41 -25.59 9.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.848 0.356 . . . . 0.0 111.734 -179.179 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.677 ' HA3' ' HA ' ' A' ' 44' ' ' THR . . . 96.7 -167.62 24.51 Favored Glycine 0 N--CA 1.442 -0.917 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.403 178.131 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.435 ' CD1' ' HB2' ' A' ' 14' ' ' TRP . 73.9 m-85 -76.42 140.53 41.35 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 178.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -71.44 97.68 1.68 Allowed 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 173.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.638 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 16.3 m -66.13 -6.71 4.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.754 -178.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -98.89 -9.86 23.64 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.21 175.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -117.88 13.97 14.14 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.238 179.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.638 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 19.4 mt -65.69 132.13 48.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.457 -175.677 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.411 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 15.6 t70 -72.91 138.25 79.63 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.041 -0.982 . . . . 0.0 109.624 175.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 26' ' ' ASP . 73.7 Cg_exo -49.74 -23.75 8.81 Favored 'Trans proline' 0 CA--C 1.531 0.342 0 C-N-CA 123.924 3.082 . . . . 0.0 114.191 -178.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -85.12 -44.65 12.79 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 179.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.2 mp -55.57 -46.68 77.18 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.103 0.478 . . . . 0.0 110.675 169.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -56.75 -33.84 66.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.184 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.402 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 23.0 t -70.44 -55.77 8.23 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.324 176.61 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.625 ' CD1' HG13 ' B' ' 79' ' ' VAL . 55.0 tp -59.91 -54.12 49.93 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.619 -0.718 . . . . 0.0 112.537 -171.043 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.506 ' HB3' ' HB ' ' A' ' 38' ' ' ILE . 14.6 m-30 -63.62 -36.2 83.03 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.751 -170.436 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 25.9 m -64.39 -36.78 85.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.882 176.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 31' ' ' SER . 78.4 mtp180 -76.27 -26.32 55.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.128 0.49 . . . . 0.0 110.076 178.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.32 -4.31 58.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.164 -0.926 . . . . 0.0 111.437 -177.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.93 -2.28 87.07 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.042 178.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.666 HD11 HD13 ' B' ' 83' ' ' LEU . 37.1 mt -70.33 105.2 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 CA-C-O 120.942 0.401 . . . . 0.0 110.185 177.099 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.5 t -81.19 171.24 15.12 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.78 177.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.497 ' HG3' HG11 ' A' ' 22' ' ' VAL . 30.2 tt0 -53.63 -38.6 64.22 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.951 0.405 . . . . 0.0 111.055 -177.179 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.415 ' O ' ' HE1' ' B' ' 101' ' ' HIS . . . -60.71 -49.56 77.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.04 178.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.63 ' HB3' HG21 ' A' ' 48' ' ' THR . 36.7 mt-30 -59.28 -36.68 76.01 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.639 0.257 . . . . 0.0 111.612 -179.061 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.463 ' HG ' HG22 ' A' ' 38' ' ' ILE . 55.6 mt -66.36 -21.98 66.25 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 121.036 -0.265 . . . . 0.0 111.167 178.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.677 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 22.8 p -112.63 20.88 16.16 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.294 0.568 . . . . 0.0 110.415 179.526 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.656 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 27.5 t70 -98.54 134.54 41.35 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.209 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.9 -62.45 1.64 Allowed 'General case' 0 C--O 1.236 0.388 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -170.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -70.39 -47.68 59.73 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 121.127 -0.229 . . . . 0.0 111.154 -178.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.656 ' HB ' ' HB3' ' A' ' 45' ' ' ASP . 19.2 m -54.68 -53.27 57.05 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.2 t -63.98 -48.38 76.66 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.738 -172.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -65.85 -29.1 69.5 Favored 'General case' 0 C--N 1.334 -0.093 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.76 -177.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.69 HD12 HD11 ' B' ' 92' ' ' ILE . 68.1 mt -82.48 -24.29 34.28 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 121.031 -0.267 . . . . 0.0 111.484 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.591 HD13 HD13 ' A' ' 38' ' ' ILE . 75.1 mt -64.02 -45.83 95.6 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.228 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 165.028 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -59.15 -48.01 83.18 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.366 176.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.568 ' HB3' ' HA ' ' A' ' 51' ' ' LEU . 3.4 t70 -55.41 -41.67 73.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.698 174.528 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.553 ' HB3' ' O ' ' A' ' 52' ' ' ILE . 70.0 t80 -56.96 -51.94 67.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.658 176.24 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 77.6 mt -64.71 -41.28 91.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.026 -177.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -65.12 -38.7 91.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.316 177.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -60.16 -34.42 73.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.43 -179.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 25.2 mm-40 -79.3 -10.7 59.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.134 -177.135 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 112.64 19.84 6.79 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.469 -179.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 103.84 178.62 25.64 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.547 176.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.634 HD21 HG22 ' A' ' 12' ' ' VAL . 9.5 mp -59.82 -38.77 82.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.994 0.426 . . . . 0.0 111.216 -178.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.567 ' HA ' ' HD3' ' A' ' 66' ' ' ARG . 17.8 mm-40 -60.03 -28.2 67.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.004 -176.19 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.685 ' O ' ' HG2' ' A' ' 68' ' ' GLU . . . -71.88 -53.22 13.86 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.212 -179.541 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.532 ' HA ' ' CG ' ' A' ' 68' ' ' GLU . 53.5 t -57.44 -35.72 50.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.159 -179.518 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.567 ' HD3' ' HA ' ' A' ' 63' ' ' GLU . 45.0 mtp180 -58.82 -28.91 66.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.528 177.059 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.487 ' O ' ' HG2' ' A' ' 70' ' ' ARG . 51.3 mt-30 -93.38 -25.94 17.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.648 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.788 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 3.6 mm-40 -63.07 -28.65 70.23 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.055 0.455 . . . . 0.0 110.344 176.502 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 13.5 mmt -52.6 -25.27 10.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.522 173.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.487 ' HG2' ' O ' ' A' ' 67' ' ' GLN . 6.3 ptp180 -121.81 15.84 10.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.215 0.531 . . . . 0.0 109.912 177.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.788 ' HB3' ' HA ' ' A' ' 68' ' ' GLU . 4.1 tmt_? -128.17 -79.94 0.58 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.546 -176.364 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.526 ' HB3' ' HD3' ' A' ' 71' ' ' ARG . 16.5 tp60 . . . . . 0 C--O 1.245 0.852 0 CA-C-O 117.652 -1.166 . . . . 0.0 108.85 -176.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.638 0 N-CA-C 112.702 -0.159 . . . . 0.0 112.702 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . 0.481 ' HB3' ' HB2' ' B' ' 81' ' ' GLN . 67.2 m80 -82.6 67.36 8.62 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.011 0.434 . . . . 0.0 110.025 179.452 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' MET . . . . . 0.45 ' C ' HD22 ' B' ' 76' ' ' LEU . 20.3 mmt -85.6 32.62 0.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.548 -177.647 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . 0.768 ' HB2' ' HB3' ' B' ' 81' ' ' GLN . 3.6 mm? -122.99 135.75 26.18 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -175.131 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -93.86 6.77 2.64 Favored 'Trans proline' 0 N--CA 1.455 -0.744 0 C-N-CA 123.521 2.814 . . . . 0.0 111.769 174.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -118.78 -168.87 1.62 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.306 -172.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.625 HG13 ' CD1' ' A' ' 32' ' ' LEU . 8.1 p -66.83 -6.62 4.74 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 CA-C-N 114.931 -1.032 . . . . 0.0 111.117 178.747 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.572 ' HB3' ' HG ' ' B' ' 76' ' ' LEU . . . -68.48 -50.49 51.98 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.929 -179.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' GLN . . . . . 0.768 ' HB3' ' HB2' ' B' ' 76' ' ' LEU . 0.0 OUTLIER -65.65 -24.86 67.13 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 122.075 0.941 . . . . 0.0 109.39 177.757 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . 0.402 ' HB3' ' O ' ' B' ' 79' ' ' VAL . 56.6 ttt180 -72.76 -16.3 61.65 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 113.666 -1.606 . . . . 0.0 110.4 -177.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 0.666 HD13 HD11 ' A' ' 38' ' ' ILE . 1.1 mt -87.67 -37.66 16.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.707 179.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 54.7 mtt -54.77 -42.0 71.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.19 177.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -66.0 -43.11 88.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.069 178.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . 0.48 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 48.7 t60 -71.75 -20.5 61.87 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 111.938 0.348 . . . . 0.0 111.938 -173.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.445 ' HG ' HG23 ' A' ' 48' ' ' THR . 0.0 OUTLIER -87.24 -43.58 12.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.07 0.462 . . . . 0.0 110.311 173.828 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.95 -32.99 71.33 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.549 -178.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.573 ' HG3' ' CD2' ' B' ' 90' ' ' HIS . 8.7 pt-20 -72.11 -6.42 42.43 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -177.198 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . 0.573 ' CD2' ' HG3' ' B' ' 89' ' ' GLU . 96.1 m-70 -129.04 13.5 6.24 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.457 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 73.37 30.22 62.86 Favored Glycine 0 CA--C 1.521 0.423 0 C-N-CA 120.695 -0.764 . . . . 0.0 113.879 174.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . 0.69 HD11 HD12 ' A' ' 51' ' ' LEU . 1.6 mp -60.73 153.08 5.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 C-N-CA 122.732 0.413 . . . . 0.0 110.772 172.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -88.35 101.96 3.26 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.182 175.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 94' ' ' PRO . . . . . 0.527 ' HD3' ' O ' ' B' ' 92' ' ' ILE . 63.2 Cg_endo -76.1 112.77 3.56 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 122.367 2.045 . . . . 0.0 112.339 -176.274 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . 0.448 ' H ' ' NE2' ' A' ' 42' ' ' GLN . . . -82.27 31.82 0.39 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.379 -179.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -91.49 8.13 37.95 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.989 175.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -159.24 -77.24 0.07 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.987 175.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 98' ' ' MET . . . . . . . . . . . . . 14.8 tpt -156.28 79.47 0.97 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.204 0.525 . . . . 0.0 110.433 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -159.19 106.08 1.75 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.87 178.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . 0.424 ' HB3' ' H ' ' B' ' 101' ' ' HIS . 86.0 mt-10 -135.38 -153.57 0.52 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.446 -179.474 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 101' ' ' HIS . . . . . 0.424 ' H ' ' HB3' ' B' ' 100' ' ' GLU . 5.7 m-70 -72.3 -32.76 66.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.428 0.633 . . . . 0.0 109.821 -176.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 47.3 mm -90.26 115.52 64.24 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 115.056 -0.975 . . . . 0.0 109.977 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -71.24 123.66 9.79 Favored 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 122.859 2.373 . . . . 0.0 111.59 178.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 104' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.35 113.83 1.77 Allowed 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.717 2.278 . . . . 0.0 111.739 -179.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 105' ' ' ALA . . . . . 0.489 ' HA ' ' HD3' ' B' ' 106' ' ' PRO . . . -75.6 126.2 87.67 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.986 -176.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 106' ' ' PRO . . . . . 0.489 ' HD3' ' HA ' ' B' ' 105' ' ' ALA . 17.2 Cg_exo -67.39 -39.39 12.8 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.896 2.397 . . . . 0.0 111.523 177.378 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 107' ' ' ASN . . . . . 0.46 ' HB2' ' O ' ' B' ' 106' ' ' PRO . 59.8 t30 172.77 -57.04 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.077 173.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 71.2 m95 . . . . . 0 C--O 1.247 0.927 0 CA-C-O 118.691 -0.671 . . . . 0.0 109.852 177.17 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.624 0 N-CA-C 112.024 -0.431 . . . . 0.0 112.024 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 83.5 t60 69.94 100.07 0.06 Allowed 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.036 0.534 . . . . 0.0 110.908 -178.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 85.0 mtp -87.75 -156.01 0.33 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.197 177.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.9 m -78.78 -41.77 29.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.155 0.502 . . . . 0.0 110.725 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 82.65 -142.12 21.59 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.788 -0.72 . . . . 0.0 111.95 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.872 ' HD2' ' HA ' ' A' ' 9' ' ' VAL . 19.6 t80 -103.27 -7.74 20.9 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 177.263 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.469 ' HE3' ' OE2' ' A' ' 57' ' ' GLU . 37.7 ttpt 66.78 -73.57 0.07 Allowed 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.125 179.662 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 49.2 p-80 -88.9 48.58 1.65 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.726 0.774 . . . . 0.0 109.459 175.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.872 ' HA ' ' HD2' ' A' ' 6' ' ' PHE . 7.4 p -75.76 -30.46 21.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.241 -0.89 . . . . 0.0 109.84 -170.59 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 57.9 m -62.69 -20.52 64.95 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.466 -1.243 . . . . 0.0 110.999 173.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.561 ' HA ' ' OH ' ' A' ' 53' ' ' TYR . 35.4 m80 61.28 19.36 10.06 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 115.098 -0.956 . . . . 0.0 108.458 -163.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.504 HG21 HD11 ' A' ' 29' ' ' LEU . 7.2 p 45.11 -65.43 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 O-C-N 125.188 1.555 . . . . 0.0 113.909 -169.48 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.429 ' H ' HG13 ' A' ' 12' ' ' VAL . . . -177.57 33.89 0.08 OUTLIER Glycine 0 N--CA 1.445 -0.741 0 N-CA-C 110.302 -1.119 . . . . 0.0 110.302 -179.377 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 84.2 t90 -115.78 132.77 56.54 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.3 -0.45 . . . . 0.0 111.071 -174.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -121.87 144.61 41.37 Favored Pre-proline 0 C--N 1.323 -0.575 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 172.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -52.31 -37.07 70.59 Favored 'Trans proline' 0 N--CA 1.477 0.533 0 C-N-CA 123.955 3.104 . . . . 0.0 115.676 -167.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -98.42 -44.29 6.57 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -174.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.467 ' O ' ' HA ' ' A' ' 44' ' ' THR . 3.3 p-10 -93.05 -0.58 57.09 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.742 -174.543 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 75.51 -137.1 21.26 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.722 -0.752 . . . . 0.0 113.05 175.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.52 ' HE2' ' HB ' ' A' ' 52' ' ' ILE . 65.4 m-85 -85.02 135.37 34.04 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.034 0.445 . . . . 0.0 110.622 -178.242 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.436 ' OD1' ' HB3' ' A' ' 23' ' ' ASN . 12.0 t70 -73.27 97.63 2.5 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 175.178 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.633 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 7.4 p -60.19 -25.34 33.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.644 -175.689 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.436 ' HB3' ' OD1' ' A' ' 21' ' ' ASP . 7.1 t30 -69.29 -41.28 76.99 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.015 0.436 . . . . 0.0 110.425 178.268 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.417 ' ND2' HD22 ' A' ' 23' ' ' ASN . 27.8 m-80 -98.7 18.5 16.73 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.767 -176.535 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.633 ' HG ' ' HA ' ' A' ' 22' ' ' VAL . 23.9 mt -65.8 129.99 41.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.265 0.555 . . . . 0.0 111.199 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -67.64 136.57 92.81 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.325 173.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -48.95 -30.89 18.8 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 123.974 3.116 . . . . 0.0 113.824 -179.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -77.16 -41.32 42.15 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 110.46 -0.2 . . . . 0.0 110.46 178.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.504 HD11 HG21 ' A' ' 12' ' ' VAL . 98.1 mt -64.36 -45.58 87.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.982 0.42 . . . . 0.0 110.151 175.651 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.9 tpt85 -54.56 -42.55 71.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.394 178.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.9 t -61.98 -53.64 52.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.09 177.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.502 ' HB2' ' HE2' ' A' ' 69' ' ' MET . 20.8 tp -57.42 -57.47 12.53 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 116.004 -0.544 . . . . 0.0 112.299 -175.011 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.434 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 18.4 m-30 -58.46 -41.9 86.23 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.716 -169.329 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.9 m -67.94 -29.6 68.7 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.458 178.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.446 HH11 ' HD2' ' A' ' 35' ' ' ARG . 14.9 mtp180 -71.38 -28.03 63.75 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.127 0.489 . . . . 0.0 110.485 174.233 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.47 1.5 54.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.615 -176.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.25 -20.85 45.62 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 121.243 -0.504 . . . . 0.0 111.872 -179.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.69 HD13 HD13 ' A' ' 52' ' ' ILE . 14.7 mt -62.58 105.53 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.144 0.497 . . . . 0.0 110.556 -179.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.7 m -94.58 -174.9 3.45 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.937 -178.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -51.23 -50.38 59.26 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 122.727 0.411 . . . . 0.0 111.512 -177.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.11 -50.01 72.27 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.496 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.633 ' HB3' HG21 ' A' ' 48' ' ' THR . 42.2 mt-30 -61.4 -33.92 74.49 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -177.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.53 HD13 HD11 ' A' ' 25' ' ' LEU . 39.5 mt -74.11 -13.8 60.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.718 0.294 . . . . 0.0 111.355 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.467 ' HA ' ' O ' ' A' ' 18' ' ' ASN . 3.6 p -115.08 19.22 15.87 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.394 0.616 . . . . 0.0 110.344 176.587 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.01 143.66 32.28 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.439 176.142 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.79 -69.1 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -172.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -60.94 -45.65 93.86 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.408 -173.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.633 HG21 ' HB3' ' A' ' 42' ' ' GLN . 16.8 m -51.97 -59.9 3.81 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 178.286 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.9 m -62.79 -35.91 81.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.821 -174.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -61.01 -39.92 91.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.936 0.398 . . . . 0.0 110.48 -178.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.552 HD12 HD11 ' B' ' 92' ' ' ILE . 63.9 mt -73.97 -36.54 64.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.142 179.427 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.69 HD13 HD13 ' A' ' 38' ' ' ILE . 28.8 mt -61.16 -44.24 97.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.935 0.398 . . . . 0.0 110.473 176.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.561 ' OH ' ' HA ' ' A' ' 11' ' ' HIS . 17.6 t80 -65.93 -40.81 91.73 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.936 179.131 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -60.17 -40.69 90.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.34 173.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.68 ' CZ ' HG12 ' B' ' 79' ' ' VAL . 38.9 t80 -59.84 -49.61 77.03 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.164 177.55 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.463 HG12 HG21 ' A' ' 65' ' ' VAL . 96.5 mt -57.82 -45.35 87.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.658 179.383 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.469 ' OE2' ' HE3' ' A' ' 7' ' ' LYS . 10.1 mm-40 -65.4 -40.39 93.36 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.333 176.304 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -63.27 -31.66 72.87 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.776 -178.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -78.53 0.17 27.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.995 0.426 . . . . 0.0 111.451 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.43 -14.97 10.78 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.354 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 133.79 178.91 15.91 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.669 178.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.41 ' O ' ' HG3' ' A' ' 66' ' ' ARG . 22.7 tp -60.09 -31.08 69.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.659 0.266 . . . . 0.0 111.624 -176.178 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.487 ' O ' ' HG2' ' A' ' 67' ' ' GLN . 1.8 tt0 -70.86 -42.43 70.12 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.862 -178.381 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.479 ' O ' ' HG3' ' A' ' 68' ' ' GLU . . . -59.56 -41.56 90.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.419 -174.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.606 HG13 HG11 ' B' ' 79' ' ' VAL . 82.7 t -63.69 -39.22 84.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.559 -178.028 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 66' ' ' ARG . 30.4 mtp180 -66.19 -29.99 70.37 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.386 179.199 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.487 ' HG2' ' O ' ' A' ' 63' ' ' GLU . 15.4 mm-40 -74.8 -36.63 62.46 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.319 -179.119 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 1.009 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 19.1 mt-10 -62.14 -23.04 66.33 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.802 -175.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.502 ' HE2' ' HB2' ' A' ' 32' ' ' LEU . 12.4 mmt -56.26 -36.69 68.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.443 0.64 . . . . 0.0 110.815 177.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.74 33.5 5.31 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.334 179.391 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 1.009 ' HB3' ' HA ' ' A' ' 68' ' ' GLU . 28.6 ttt180 -118.25 -67.83 0.96 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.628 -178.278 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 . . . . . 0 C--O 1.249 1.038 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.113 -170.21 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.8 0 N-CA-C 112.601 -0.2 . . . . 0.0 112.601 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . 0.809 ' HB3' ' HB2' ' B' ' 81' ' ' GLN . 74.8 m80 -143.25 59.13 1.4 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 176.623 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' MET . . . . . 0.538 ' CE ' ' HA ' ' B' ' 75' ' ' MET . 2.6 tpt -79.01 55.77 1.84 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.276 0.56 . . . . 0.0 111.463 -173.105 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . 0.845 ' HB2' ' HB3' ' B' ' 81' ' ' GLN . 3.6 mm? -118.26 125.45 27.88 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.621 177.169 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -85.66 34.39 0.48 Allowed 'Trans proline' 0 N--CA 1.46 -0.444 0 C-N-CA 123.048 2.498 . . . . 0.0 112.139 -179.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -163.88 -168.11 1.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.972 0.415 . . . . 0.0 111.618 -174.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.68 HG12 ' CZ ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -46.41 -34.52 2.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 114.799 -1.091 . . . . 0.0 112.891 176.489 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -54.83 -41.42 70.67 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 -170.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' GLN . . . . . 0.845 ' HB3' ' HB2' ' B' ' 76' ' ' LEU . 3.2 pt20 -69.7 -32.82 71.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.548 0.689 . . . . 0.0 109.75 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . 0.454 ' HG3' ' HE1' ' A' ' 55' ' ' PHE . 17.2 tpt180 -76.13 -15.2 60.12 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.632 -1.167 . . . . 0.0 109.947 -176.266 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 0.53 HD13 ' CD1' ' A' ' 38' ' ' ILE . 1.7 mt -84.12 -39.12 19.87 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.078 -179.597 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 63.8 mtt -58.65 -35.28 72.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.156 0.503 . . . . 0.0 109.797 178.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -73.55 -36.16 65.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.592 178.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . 0.45 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 27.3 t60 -71.69 -36.43 70.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.481 -171.34 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.68 HD12 HG13 ' B' ' 92' ' ' ILE . 0.6 OUTLIER -77.42 -38.22 50.15 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.866 177.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.37 -24.16 66.28 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -172.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -83.98 4.11 31.26 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -174.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -125.62 -97.36 0.42 Allowed 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 119.964 -0.694 . . . . 0.0 112.107 -178.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -166.48 56.33 0.24 Allowed Glycine 0 N--CA 1.453 -0.187 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -177.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . 0.68 HG13 HD12 ' B' ' 87' ' ' LEU . 22.2 mm -96.58 147.74 5.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.241 -0.479 . . . . 0.0 110.963 -173.333 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -100.3 104.19 28.21 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 120.968 0.413 . . . . 0.0 110.215 176.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 94' ' ' PRO . . . . . 0.544 ' HD3' ' O ' ' B' ' 92' ' ' ILE . 19.0 Cg_exo -63.78 136.94 55.91 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 123.079 2.519 . . . . 0.0 111.94 177.509 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . 0.695 ' HA ' ' HB2' ' B' ' 99' ' ' ALA . . . -80.02 6.39 11.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.288 0.566 . . . . 0.0 110.81 -178.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 -70.03 -22.84 63.06 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.038 174.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -151.03 140.11 21.1 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.681 -179.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 98' ' ' MET . . . . . . . . . . . . . 54.8 mtt 46.8 60.59 3.27 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 123.76 0.662 . . . . 0.0 111.899 174.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 99' ' ' ALA . . . . . 0.695 ' HB2' ' HA ' ' B' ' 95' ' ' ALA . . . -102.59 80.82 1.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -173.263 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -143.99 137.42 27.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.875 0.369 . . . . 0.0 110.419 173.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -124.49 72.7 1.21 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.454 0.645 . . . . 0.0 110.071 177.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' ILE . . . . . 0.683 ' H ' HD12 ' B' ' 102' ' ' ILE . 4.5 mp -62.1 124.5 82.33 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.354 -179.003 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 103' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -52.73 122.59 11.23 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.941 2.427 . . . . 0.0 112.003 178.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 104' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -64.51 113.13 2.16 Favored 'Trans proline' 0 N--CA 1.462 -0.376 0 C-N-CA 122.422 2.082 . . . . 0.0 112.246 -178.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -85.83 120.59 72.86 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 115.789 -0.642 . . . . 0.0 109.978 178.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.36 -39.08 80.3 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 123.24 2.627 . . . . 0.0 111.854 -179.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 26.8 p-10 -164.06 144.02 8.07 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 175.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 6.8 m0 . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.165 -0.921 . . . . 0.0 110.256 -175.672 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.619 0 N-CA-C 111.989 -0.445 . . . . 0.0 111.989 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -142.94 153.1 42.72 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 122.793 -0.239 . . . . 0.0 110.694 -177.569 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 24.7 mmt 60.25 34.24 20.95 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.79 0.681 . . . . 0.0 111.304 177.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.7 p -80.68 -6.46 58.42 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.898 178.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 79.22 -112.78 3.52 Favored Glycine 0 N--CA 1.443 -0.864 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.803 -179.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.416 ' HE2' ' HB2' ' A' ' 26' ' ' ASP . 91.3 m-85 -91.68 112.58 24.56 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.106 0.479 . . . . 0.0 110.49 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt -81.01 52.66 1.81 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.718 -179.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 56.79 50.57 12.25 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.018 -174.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.606 HG22 ' H ' ' A' ' 11' ' ' HIS . 7.1 p -103.84 128.53 57.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 175.536 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.61 ' HB3' ' OH ' ' A' ' 53' ' ' TYR . 29.4 m -75.15 5.84 4.96 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.859 0.362 . . . . 0.0 111.746 -174.426 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.606 ' H ' HG22 ' A' ' 9' ' ' VAL . 7.3 t-80 -68.53 -40.61 80.67 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 172.593 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.487 HG22 ' O ' ' A' ' 12' ' ' VAL . 12.6 p 39.39 34.6 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 124.797 1.239 . . . . 0.0 113.858 171.164 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 56.22 24.52 44.71 Favored Glycine 0 CA--C 1.521 0.455 0 C-N-CA 121.277 -0.487 . . . . 0.0 112.891 179.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.546 ' CZ2' ' HA ' ' A' ' 16' ' ' PRO . 67.0 t90 -116.33 139.15 50.71 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.819 0.342 . . . . 0.0 110.643 -175.627 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -123.69 134.59 25.4 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 174.491 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.546 ' HA ' ' CZ2' ' A' ' 14' ' ' TRP . 1.0 OUTLIER -42.79 -39.43 7.39 Favored 'Trans proline' 0 CA--C 1.535 0.557 0 C-N-CA 124.28 3.32 . . . . 0.0 115.675 -170.156 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -103.47 -43.56 5.37 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 122.143 -0.348 . . . . 0.0 111.934 -173.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -85.86 -7.88 58.43 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -175.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.401 ' HA3' ' HA ' ' A' ' 44' ' ' THR . . . 80.62 -154.3 35.98 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.781 -0.723 . . . . 0.0 113.11 175.153 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.41 ' HB2' ' HB3' ' A' ' 43' ' ' LEU . 90.7 m-85 -78.91 131.88 36.55 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 179.588 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -76.09 84.29 2.94 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 174.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.732 ' HA ' ' HB3' ' A' ' 25' ' ' LEU . 24.8 m -54.07 -25.78 13.53 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.556 -175.517 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 30.8 p-10 -80.9 -10.09 59.76 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 120.967 0.413 . . . . 0.0 110.962 -179.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -127.61 19.09 6.77 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 175.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.732 ' HB3' ' HA ' ' A' ' 22' ' ' VAL . 0.2 OUTLIER -94.1 133.94 37.05 Favored 'General case' 0 N--CA 1.435 -1.202 0 CA-C-N 114.809 -1.087 . . . . 0.0 110.285 -168.924 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.488 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 11.9 t70 -58.3 129.62 83.52 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.392 -176.318 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.488 ' HD3' ' HA ' ' A' ' 26' ' ' ASP . 52.3 Cg_exo -55.53 -29.81 71.21 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 124.076 3.184 . . . . 0.0 114.148 -177.183 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -76.37 -43.63 39.89 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 -178.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.535 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 95.8 mt -59.89 -43.78 94.61 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 171.251 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -56.0 -43.38 77.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.676 179.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.5 t -60.05 -51.1 71.1 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.063 175.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.896 HD21 HG13 ' B' ' 79' ' ' VAL . 1.3 tm? -59.47 -55.4 35.05 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.948 -1.024 . . . . 0.0 111.592 -174.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.55 ' HB3' HD21 ' A' ' 43' ' ' LEU . 14.5 m-85 -59.96 -43.89 94.77 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.044 -178.116 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.6 t -65.05 -33.79 76.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.653 178.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.5 mtt180 -65.64 -28.05 68.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.102 0.477 . . . . 0.0 110.998 175.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.88 10.09 30.19 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.32 -177.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.08 -13.35 65.03 Favored Glycine 0 C--N 1.331 0.251 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.972 175.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.716 HD13 HD11 ' A' ' 52' ' ' ILE . 6.8 mt -70.92 112.55 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.878 0.37 . . . . 0.0 111.133 -179.599 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.4 t -73.85 165.21 25.52 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.276 176.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -59.63 -40.72 88.54 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.947 0.404 . . . . 0.0 110.921 -179.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.62 -30.17 71.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.503 0.668 . . . . 0.0 110.491 177.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.648 ' HG3' HG21 ' A' ' 48' ' ' THR . 2.6 tp-100 -76.81 -22.89 52.97 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.948 -179.281 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.55 HD21 ' HB3' ' A' ' 33' ' ' PHE . 87.0 mt -72.67 -18.71 61.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.533 175.408 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.401 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 52.1 p -97.89 2.68 49.46 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.307 0.575 . . . . 0.0 110.104 176.693 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.639 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 28.8 t70 -72.11 138.61 47.87 Favored 'General case' 0 CA--C 1.522 -0.115 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.858 175.656 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.43 -62.72 1.58 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -174.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.5 pm0 -70.31 -43.46 70.29 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 121.326 -0.15 . . . . 0.0 111.324 -176.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.648 HG21 ' HG3' ' A' ' 42' ' ' GLN . 38.9 m -54.54 -55.68 26.73 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.424 ' HB3' ' O ' ' A' ' 43' ' ' LEU . 92.5 p -66.35 -41.76 89.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.676 0.274 . . . . 0.0 111.219 -175.023 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -56.83 -43.57 81.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.701 -178.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.786 HD12 HD11 ' B' ' 92' ' ' ILE . 85.3 mt -81.06 -24.99 37.43 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.246 -176.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.716 HD11 HD13 ' A' ' 38' ' ' ILE . 45.9 mt -63.23 -45.37 98.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.373 168.334 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.61 ' OH ' ' HB3' ' A' ' 10' ' ' SER . 24.6 t80 -60.64 -45.86 92.48 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.897 0.38 . . . . 0.0 110.248 177.115 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -57.32 -38.41 73.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.369 174.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 1.035 ' HE1' ' HG3' ' B' ' 82' ' ' ARG . 46.5 t80 -59.39 -46.91 87.35 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.363 176.042 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 52' ' ' ILE . 77.4 mt -64.31 -38.97 83.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.368 -177.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -66.47 -37.01 84.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.245 175.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.461 ' HB3' ' O ' ' A' ' 55' ' ' PHE . 20.7 t70 -58.41 -33.4 69.62 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.345 178.635 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.461 ' NE2' ' HG2' ' B' ' 82' ' ' ARG . 89.4 mm-40 -78.89 -19.97 50.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.375 -179.277 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 117.4 8.02 11.69 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.578 -0.82 . . . . 0.0 111.973 -176.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.67 -170.2 13.31 Favored Glycine 0 N--CA 1.44 -1.04 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.45 177.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.3 mp -71.74 -33.76 68.96 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.638 0.256 . . . . 0.0 111.57 -173.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -70.17 -28.94 65.73 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.898 0.38 . . . . 0.0 110.639 -177.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.468 ' O ' ' HG2' ' A' ' 68' ' ' GLU . . . -68.68 -51.06 45.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.789 179.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 45.9 t -59.52 -36.96 67.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.455 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 65.9 mtt180 -58.6 -31.2 67.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.226 176.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -87.11 -29.3 21.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.469 -177.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.88 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 7.5 mm-40 -63.74 -20.92 66.12 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.656 0.265 . . . . 0.0 110.72 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 9.5 mmt -55.13 -19.9 8.77 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.653 178.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -136.0 22.13 3.28 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 121.309 0.576 . . . . 0.0 110.222 175.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.88 ' HB3' ' HA ' ' A' ' 68' ' ' GLU . 49.1 ttt180 -115.56 -77.94 0.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.74 -177.368 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.538 ' HG2' ' HG2' ' A' ' 71' ' ' ARG . 11.8 pt20 . . . . . 0 C--O 1.244 0.801 0 CA-C-O 118.033 -0.984 . . . . 0.0 109.662 -176.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.586 0 N-CA-C 112.065 -0.414 . . . . 0.0 112.065 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . 0.609 ' HB2' ' HB2' ' B' ' 81' ' ' GLN . 61.7 m-70 -101.51 -97.25 0.27 Allowed 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 174.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' MET . . . . . 0.411 ' HB2' ' HE1' ' B' ' 84' ' ' MET . 75.0 mtm -101.55 -11.85 18.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.495 0.664 . . . . 0.0 109.435 170.65 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . 0.417 HD23 ' CE ' ' B' ' 84' ' ' MET . 3.9 mm? -126.48 150.82 71.65 Favored Pre-proline 0 C--N 1.327 -0.413 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.124 175.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -93.36 9.88 2.26 Favored 'Trans proline' 0 N--CA 1.455 -0.77 0 C-N-CA 123.357 2.704 . . . . 0.0 112.222 178.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' ASP . . . . . 0.559 ' O ' ' HG2' ' B' ' 81' ' ' GLN . 5.2 m-20 -123.06 -174.04 2.85 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.568 -178.072 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.896 HG13 HD21 ' A' ' 32' ' ' LEU . 2.3 p -61.74 -16.67 15.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.116 0.484 . . . . 0.0 111.067 177.586 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -54.56 -30.15 53.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.125 0.488 . . . . 0.0 111.153 176.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' GLN . . . . . 0.646 ' HA ' ' HE2' ' B' ' 84' ' ' MET . 11.1 pt20 -70.84 -36.22 72.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.634 -178.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . 1.035 ' HG3' ' HE1' ' A' ' 55' ' ' PHE . 23.4 tpt180 -75.73 -20.74 58.12 Favored 'General case' 0 N--CA 1.44 -0.927 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.547 -176.108 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 0.53 HD13 ' CG ' ' A' ' 55' ' ' PHE . 14.5 tp -81.89 -41.84 20.38 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.557 -179.639 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' MET . . . . . 0.646 ' HE2' ' HA ' ' B' ' 81' ' ' GLN . 60.7 mtm -61.22 -40.33 93.6 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.972 0.415 . . . . 0.0 110.669 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . 0.54 ' O ' ' HG2' ' B' ' 89' ' ' GLU . 15.2 mm100 -65.8 -42.91 90.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.58 178.331 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . 0.438 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 78.4 t60 -66.48 -33.18 75.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.336 -175.347 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.709 HD22 HG12 ' B' ' 92' ' ' ILE . 87.5 mt -77.65 -39.43 45.12 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.052 0.453 . . . . 0.0 110.696 179.478 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.27 -14.22 36.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.712 179.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.54 ' HG2' ' O ' ' B' ' 85' ' ' GLN . 21.7 mm-40 -73.25 -18.72 61.2 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -126.07 -24.19 3.78 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 -173.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 108.25 48.19 0.89 Allowed Glycine 0 CA--C 1.518 0.227 0 C-N-CA 120.164 -1.017 . . . . 0.0 113.475 176.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . 0.786 HD11 HD12 ' A' ' 51' ' ' LEU . 1.7 mp -64.2 145.79 13.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 122.44 0.296 . . . . 0.0 110.807 173.105 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -66.03 127.62 93.29 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.363 177.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 94' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -62.34 129.71 27.77 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.691 2.26 . . . . 0.0 111.665 175.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . 0.603 ' HB2' HE21 ' A' ' 42' ' ' GLN . . . -109.6 3.27 20.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.289 -0.414 . . . . 0.0 112.035 -175.021 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . 0.452 ' HA ' ' HD2' ' B' ' 96' ' ' ARG . 17.4 tpt180 -70.44 -30.73 67.65 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.037 0.446 . . . . 0.0 109.939 174.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -92.78 -174.26 3.57 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 175.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 98' ' ' MET . . . . . . . . . . . . . 56.7 ttp -66.81 -71.0 0.21 Allowed 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 121.087 -0.245 . . . . 0.0 110.892 -177.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . 60.96 -80.9 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.146 0.904 . . . . 0.0 111.746 -178.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 60.56 -178.11 0.1 Allowed 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.556 0.693 . . . . 0.0 111.581 -176.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 40.9 m80 -135.7 113.35 10.89 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 175.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 50.6 mm -69.23 112.6 12.3 Favored Pre-proline 0 C--N 1.322 -0.611 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 177.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 103' ' ' PRO . . . . . 0.505 ' HA ' ' HD3' ' B' ' 104' ' ' PRO . 45.6 Cg_endo -68.67 139.46 44.26 Favored 'Trans proline' 0 N--CA 1.462 -0.381 0 C-N-CA 122.521 2.148 . . . . 0.0 112.217 -175.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 104' ' ' PRO . . . . . 0.505 ' HD3' ' HA ' ' B' ' 103' ' ' PRO . 22.2 Cg_exo -64.71 115.22 3.1 Favored 'Trans proline' 0 N--CA 1.462 -0.381 0 C-N-CA 122.463 2.109 . . . . 0.0 111.369 177.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.82 126.6 92.82 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.087 179.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 106' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -49.59 113.78 1.09 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 123.164 2.576 . . . . 0.0 112.489 -177.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.63 147.52 43.69 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.268 -177.298 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 9.7 m-90 . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.236 -0.888 . . . . 0.0 109.592 175.403 . . . . . . . . 0 0 . 1 stop_ save_