data_1ljv_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 1ljv _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.365 0 N-CA-C 112.578 0.584 . . . . 1.0 112.578 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.79 -38.73 70.31 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.595 0.758 . . . . 1.0 112.346 173.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.06 -56.54 19.78 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.308 1.043 . . . . 1.0 110.932 175.008 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -57.63 -43.28 84.73 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.298 1.039 . . . . 1.0 113.41 176.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.56 -44.27 93.32 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.305 0.642 . . . . 1.0 111.476 175.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.63 -43.24 99.3 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 118.362 -0.828 . . . . 1.0 112.166 171.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -53.48 -46.04 69.84 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.284 1.434 . . . . 1.0 111.437 175.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.73 -44.87 96.1 Favored 'General case' 0 CA--C 1.535 0.386 0 O-C-N 121.564 -0.71 . . . . 1.0 112.551 176.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.02 -37.44 45.2 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 118.777 0.717 . . . . 1.0 111.587 173.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -70.1 -45.68 66.46 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.4 0.68 . . . . 1.0 109.997 178.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -45.65 -44.02 12.95 Favored 'General case' 0 C--O 1.218 -0.559 0 C-N-CA 124.862 1.265 . . . . 1.0 111.414 175.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.9 mm -54.76 -48.64 72.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 124.778 1.231 . . . . 1.0 112.327 178.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -59.55 -46.87 87.61 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.079 0.551 . . . . 1.0 110.458 174.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.0 mpp? -69.3 -11.04 60.47 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 115.591 1.7 . . . . 1.0 115.591 176.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.1 tp -105.35 -9.75 17.4 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 127.573 2.349 . . . . 1.0 110.576 175.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.3 m . . . . . 0 CA--C 1.545 0.787 0 C-N-CA 125.574 1.55 . . . . 1.0 112.379 -175.425 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.7 tmm? . . . . . 0 CA--C 1.537 0.446 0 N-CA-C 112.668 0.618 . . . . 1.0 112.668 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.35 -33.59 43.63 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.987 1.315 . . . . 1.0 113.033 169.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -68.32 -56.56 8.14 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.492 1.117 . . . . 1.0 111.196 175.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -55.21 -49.18 72.61 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 124.112 0.965 . . . . 1.0 112.086 175.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.81 -39.93 72.02 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.277 1.031 . . . . 1.0 111.854 178.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.06 -62.51 1.83 Allowed 'General case' 0 C--N 1.344 0.348 0 CA-C-O 118.0 -1.0 . . . . 1.0 110.754 173.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.34 -48.23 65.6 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 118.775 0.716 . . . . 1.0 110.801 178.369 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.94 -50.66 57.4 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 125.39 1.476 . . . . 1.0 112.432 175.432 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -54.31 -41.34 68.86 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.608 1.095 . . . . 1.0 111.298 177.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.0 mtp180 -69.62 -46.68 65.67 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.964 0.906 . . . . 1.0 110.194 177.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -53.8 -52.02 61.64 Favored 'General case' 0 C--O 1.215 -0.717 0 C-N-CA 126.567 1.947 . . . . 1.0 110.816 177.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.75 -54.42 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 C-N-CA 126.041 1.736 . . . . 1.0 111.568 175.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.4 t30 -61.02 -44.99 96.59 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.047 0.539 . . . . 1.0 110.838 179.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 7.4 mmm -66.77 -14.69 62.9 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.244 1.818 . . . . 1.0 115.101 173.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.6 tp -99.98 -11.01 20.98 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 127.975 2.51 . . . . 1.0 110.328 177.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.1 m . . . . . 0 CA--C 1.546 0.803 0 C-N-CA 124.606 1.162 . . . . 1.0 111.901 -175.856 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.316 0 CA-C-O 119.291 -0.385 . . . . 1.0 111.905 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.19 -37.13 61.69 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.263 1.025 . . . . 1.0 112.275 172.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.31 -55.69 19.62 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.317 1.047 . . . . 1.0 111.29 176.487 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -59.12 -42.32 90.32 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 124.063 0.945 . . . . 1.0 112.576 176.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.36 -42.63 99.01 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.701 -0.625 . . . . 1.0 111.159 176.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.68 -36.39 83.51 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 118.758 -0.639 . . . . 1.0 112.151 172.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.32 -49.33 74.36 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.761 1.224 . . . . 1.0 111.621 174.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -50.42 -48.67 56.09 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 124.46 1.104 . . . . 1.0 111.092 176.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.9 ttt180 -47.19 -42.28 19.68 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 119.377 0.99 . . . . 1.0 112.428 174.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.8 mtp180 -74.41 -44.78 50.42 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.991 1.316 . . . . 1.0 110.244 178.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -53.67 -48.45 69.44 Favored 'General case' 0 C--O 1.217 -0.64 0 C-N-CA 125.469 1.508 . . . . 1.0 111.707 176.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 95.9 mt -50.0 -55.54 5.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 126.48 1.912 . . . . 1.0 110.446 176.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -57.47 -42.29 82.29 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 122.634 0.373 . . . . 1.0 111.337 176.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.2 tpp -73.82 -9.49 58.7 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.221 1.408 . . . . 1.0 114.68 176.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tp -102.85 -12.54 17.48 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 128.62 2.768 . . . . 1.0 110.001 178.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.473 0.709 0 C-N-CA 124.588 1.155 . . . . 1.0 111.72 -177.191 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.538 0.486 0 N-CA-C 112.326 0.491 . . . . 1.0 112.326 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.88 -31.99 30.41 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.62 1.168 . . . . 1.0 112.477 172.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.74 -58.61 3.18 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.433 1.093 . . . . 1.0 111.86 178.144 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -55.09 -43.63 74.13 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.957 0.903 . . . . 1.0 112.087 175.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.06 -36.59 77.66 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 121.236 -0.915 . . . . 1.0 112.129 175.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.41 -13.89 62.61 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.683 0.994 . . . . 1.0 113.683 173.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -82.36 -47.42 12.35 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.224 1.41 . . . . 1.0 110.361 168.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -57.57 -39.93 77.84 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 112.745 0.646 . . . . 1.0 112.745 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -50.02 -43.28 50.68 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.292 0.637 . . . . 1.0 112.117 170.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -73.52 -46.92 44.87 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.879 0.872 . . . . 1.0 109.429 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -50.11 -47.19 54.07 Favored 'General case' 0 C--O 1.221 -0.419 0 C-N-CA 125.101 1.36 . . . . 1.0 110.952 175.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 42.5 mt -53.24 -59.48 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 C-N-CA 124.711 1.204 . . . . 1.0 111.411 176.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -61.01 -26.41 67.58 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 112.107 0.41 . . . . 1.0 112.107 178.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.7 mtp -82.24 -9.16 59.59 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 126.617 1.967 . . . . 1.0 115.068 173.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -114.09 -0.09 14.12 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.736 1.614 . . . . 1.0 110.23 175.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.9 m . . . . . 0 N--CA 1.47 0.557 0 C-N-CA 124.784 1.234 . . . . 1.0 110.637 -176.015 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.533 0.301 0 CA-C-O 118.261 -0.876 . . . . 1.0 112.413 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.79 -31.13 62.36 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 119.62 1.1 . . . . 1.0 112.411 175.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -65.32 0.7 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.664 1.185 . . . . 1.0 111.032 172.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -55.32 -40.92 71.73 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.224 1.01 . . . . 1.0 113.301 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.57 -48.89 79.87 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.818 0.847 . . . . 1.0 111.678 173.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.42 -30.11 71.29 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 118.475 -0.774 . . . . 1.0 112.502 174.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -66.86 -49.15 66.6 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.923 1.289 . . . . 1.0 111.22 171.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.5 tp -53.25 -45.84 68.93 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 123.573 0.749 . . . . 1.0 111.238 178.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.65 -39.1 10.73 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 118.861 0.755 . . . . 1.0 112.441 173.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.63 -47.37 22.46 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.583 1.153 . . . . 1.0 109.623 179.074 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -51.83 -38.13 54.6 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.793 1.637 . . . . 1.0 112.82 175.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 89.6 mt -60.8 -54.57 33.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 125.285 1.434 . . . . 1.0 110.69 174.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -60.27 -34.05 73.19 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 118.445 0.566 . . . . 1.0 111.415 176.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 23.6 mmm -76.83 -12.9 60.04 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.483 1.913 . . . . 1.0 115.089 175.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.1 tt -108.55 -7.17 15.78 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.659 1.584 . . . . 1.0 110.633 175.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.6 m . . . . . 0 N--CA 1.469 0.5 0 C-N-CA 124.968 1.307 . . . . 1.0 110.535 -174.6 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.428 0 N-CA-C 111.85 0.315 . . . . 1.0 111.85 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.55 -32.4 50.54 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.564 1.146 . . . . 1.0 112.874 174.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.47 -58.12 3.81 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.96 1.304 . . . . 1.0 111.394 175.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -57.28 -41.17 79.24 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.637 0.606 . . . . 1.0 112.637 176.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.02 -43.58 95.19 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.809 0.844 . . . . 1.0 112.058 174.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.73 -14.82 63.01 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.808 1.04 . . . . 1.0 113.808 171.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -84.01 -42.4 16.23 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.456 1.103 . . . . 1.0 110.901 167.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.96 -42.57 76.43 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.086 0.954 . . . . 1.0 112.644 179.604 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.4 ttt180 -49.68 -43.32 47.22 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.618 0.767 . . . . 1.0 112.393 172.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -75.39 -47.28 28.21 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.547 1.139 . . . . 1.0 109.468 -178.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -52.12 -43.27 63.89 Favored 'General case' 0 C--O 1.221 -0.416 0 C-N-CA 125.282 1.433 . . . . 1.0 111.606 176.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 31.7 mt -54.36 -56.89 7.75 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 C-N-CA 125.875 1.67 . . . . 1.0 112.071 174.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -58.59 -39.9 81.66 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.067 0.547 . . . . 1.0 110.659 177.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 79.1 mtp -70.31 -8.6 51.68 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.716 1.606 . . . . 1.0 115.27 173.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.27 -0.97 16.24 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.247 1.419 . . . . 1.0 111.694 176.273 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.7 m . . . . . 0 CA--C 1.542 0.671 0 C-N-CA 125.493 1.517 . . . . 1.0 111.803 -177.002 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.193 0 CA-C-O 118.523 -0.751 . . . . 1.0 112.253 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.33 -32.26 48.2 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.851 0.86 . . . . 1.0 112.517 174.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -62.83 1.41 Allowed 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.003 1.321 . . . . 1.0 111.226 177.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -52.45 -37.11 56.14 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.155 0.982 . . . . 1.0 112.899 176.558 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.1 -48.05 83.49 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.439 1.095 . . . . 1.0 112.082 173.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.24 -27.05 68.73 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.594 0.757 . . . . 1.0 112.646 174.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -74.58 -40.84 61.38 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.807 1.643 . . . . 1.0 111.64 172.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.62 -46.57 83.96 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 124.008 0.923 . . . . 1.0 111.851 178.314 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -47.75 -38.95 16.55 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 118.765 0.711 . . . . 1.0 112.471 172.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -76.74 -46.85 23.73 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.695 1.198 . . . . 1.0 109.943 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -52.77 -46.29 67.5 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 125.113 1.365 . . . . 1.0 111.709 176.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 97.0 mt -53.68 -53.38 26.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 125.574 1.55 . . . . 1.0 111.336 177.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -57.93 -47.82 81.72 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.756 0.822 . . . . 1.0 110.482 176.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 83.7 mtp -64.89 -6.5 8.45 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 115.181 1.549 . . . . 1.0 115.181 174.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.51 -4.59 17.12 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 127.492 2.317 . . . . 1.0 110.229 173.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.4 m . . . . . 0 CA--C 1.542 0.645 0 C-N-CA 124.859 1.264 . . . . 1.0 111.149 -174.956 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.351 0 N-CA-C 112.32 0.489 . . . . 1.0 112.32 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.6 -30.01 40.36 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.104 0.962 . . . . 1.0 113.223 173.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -58.23 3.44 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.314 1.046 . . . . 1.0 111.489 174.567 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -56.78 -41.62 78.0 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.188 0.995 . . . . 1.0 112.757 177.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.77 -46.34 90.83 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.397 1.079 . . . . 1.0 111.732 174.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.69 -21.36 62.79 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 118.332 -0.842 . . . . 1.0 112.734 172.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -76.29 -48.69 19.24 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.296 1.438 . . . . 1.0 111.633 172.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.61 -40.91 69.37 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.361 0.664 . . . . 1.0 112.365 178.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.14 -43.0 41.29 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.571 0.748 . . . . 1.0 112.092 172.103 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.71 -46.34 31.64 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.799 1.24 . . . . 1.0 109.481 -179.096 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -52.01 -42.44 63.01 Favored 'General case' 0 C--O 1.218 -0.555 0 C-N-CA 124.976 1.31 . . . . 1.0 111.255 176.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 26.0 mt -55.19 -56.23 12.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 C-N-CA 125.625 1.57 . . . . 1.0 112.222 175.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -58.65 -37.26 75.57 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 122.855 0.462 . . . . 1.0 110.553 176.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.4 mmm -73.62 -7.89 53.77 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.948 1.699 . . . . 1.0 115.002 174.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.28 -0.46 13.87 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.58 1.552 . . . . 1.0 111.632 177.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.7 m . . . . . 0 CA--C 1.541 0.624 0 C-N-CA 125.764 1.626 . . . . 1.0 111.723 -178.696 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.351 0 N-CA-C 112.32 0.489 . . . . 1.0 112.32 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.6 -30.01 40.36 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.104 0.962 . . . . 1.0 113.223 173.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -58.23 3.44 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.314 1.046 . . . . 1.0 111.489 174.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -56.78 -41.62 78.0 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.188 0.995 . . . . 1.0 112.757 177.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.77 -46.34 90.83 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.397 1.079 . . . . 1.0 111.732 174.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.69 -21.36 62.79 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 118.332 -0.842 . . . . 1.0 112.734 172.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -76.29 -48.69 19.24 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.296 1.438 . . . . 1.0 111.633 172.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.61 -40.91 69.37 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.361 0.664 . . . . 1.0 112.365 178.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.14 -43.0 41.29 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.571 0.748 . . . . 1.0 112.092 172.103 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.71 -46.34 31.64 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.799 1.24 . . . . 1.0 109.481 -179.096 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -52.01 -42.44 63.01 Favored 'General case' 0 C--O 1.218 -0.555 0 C-N-CA 124.976 1.31 . . . . 1.0 111.255 176.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 26.0 mt -55.19 -56.23 12.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 C-N-CA 125.625 1.57 . . . . 1.0 112.222 175.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -58.65 -37.26 75.57 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 122.855 0.462 . . . . 1.0 110.553 176.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.4 mmm -73.62 -7.89 53.77 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.948 1.699 . . . . 1.0 115.002 174.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.28 -0.46 13.87 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.58 1.552 . . . . 1.0 111.632 177.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.7 m . . . . . 0 CA--C 1.541 0.624 0 C-N-CA 125.764 1.626 . . . . 1.0 111.723 -178.696 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.434 0 N-CA-C 112.357 0.503 . . . . 1.0 112.357 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.6 -30.88 44.61 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.102 0.961 . . . . 1.0 113.324 172.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.98 -57.18 4.23 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.168 0.987 . . . . 1.0 111.375 174.445 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -57.82 -41.73 82.85 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.957 0.903 . . . . 1.0 112.811 177.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.64 -46.14 91.44 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.548 1.139 . . . . 1.0 111.793 174.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.05 -22.59 64.72 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 118.15 -0.929 . . . . 1.0 112.704 172.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -74.72 -48.75 24.1 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.918 1.287 . . . . 1.0 111.78 171.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.44 -40.72 68.62 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.332 0.653 . . . . 1.0 112.483 179.083 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.61 -42.67 45.43 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.664 0.786 . . . . 1.0 112.232 171.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.05 -45.94 31.7 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.564 1.145 . . . . 1.0 109.498 -179.236 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -52.14 -42.91 63.74 Favored 'General case' 0 C--O 1.219 -0.535 0 C-N-CA 125.031 1.332 . . . . 1.0 111.315 175.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 24.2 mt -54.31 -55.77 13.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 125.613 1.565 . . . . 1.0 112.26 174.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -59.19 -39.46 82.64 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.08 0.552 . . . . 1.0 110.44 177.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.7 mmm -71.13 -9.1 57.5 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.985 1.714 . . . . 1.0 115.201 174.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.95 -0.14 14.9 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.615 1.566 . . . . 1.0 111.845 177.494 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.7 m . . . . . 0 CA--C 1.543 0.693 0 C-N-CA 125.965 1.706 . . . . 1.0 112.016 -178.354 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.439 0 N-CA-C 112.712 0.634 . . . . 1.0 112.712 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.03 -34.22 63.33 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.433 1.093 . . . . 1.0 112.788 173.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -54.57 23.47 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.3 1.04 . . . . 1.0 110.984 175.586 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -58.19 -44.56 88.11 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.292 1.037 . . . . 1.0 112.685 175.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.34 -44.73 92.62 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.677 0.791 . . . . 1.0 112.022 175.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.85 -40.84 85.48 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 118.66 -0.686 . . . . 1.0 111.591 172.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -59.57 -42.7 93.08 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.836 0.744 . . . . 1.0 112.13 173.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.67 -47.01 80.76 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.363 1.065 . . . . 1.0 112.092 178.205 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -49.96 -37.42 32.17 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 118.823 0.738 . . . . 1.0 112.279 173.431 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.5 mtm180 -77.0 -49.28 15.77 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.117 0.967 . . . . 1.0 109.999 179.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -49.92 -40.79 44.5 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.519 1.528 . . . . 1.0 111.044 174.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 34.7 mt -55.57 -59.7 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 C-N-CA 126.128 1.771 . . . . 1.0 112.125 174.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -60.27 -27.94 67.67 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 118.161 0.437 . . . . 1.0 111.283 177.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 9.2 tpp -81.21 -12.67 59.1 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.472 1.509 . . . . 1.0 114.659 175.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -113.51 -1.03 14.22 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.708 1.603 . . . . 1.0 111.423 178.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 30.3 m . . . . . 0 CA--C 1.537 0.469 0 C-N-CA 126.432 1.893 . . . . 1.0 111.492 -175.843 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.307 0 N-CA-C 113.147 0.795 . . . . 1.0 113.147 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.58 -29.04 35.51 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.896 0.878 . . . . 1.0 113.08 172.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -73.41 -59.26 2.79 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.856 1.263 . . . . 1.0 111.298 174.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -56.3 -43.29 78.77 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.075 0.95 . . . . 1.0 113.104 176.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.56 -41.68 99.06 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.48 -0.762 . . . . 1.0 111.675 178.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.82 -28.82 66.38 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 118.169 -0.92 . . . . 1.0 112.462 171.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -74.7 -43.37 55.47 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.887 1.275 . . . . 1.0 111.564 172.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.45 -40.76 83.5 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.06 0.944 . . . . 1.0 112.207 179.504 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.59 -34.48 58.55 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.598 0.759 . . . . 1.0 112.889 171.587 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.9 mtt-85 -77.56 -44.65 27.83 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.212 1.005 . . . . 1.0 109.54 177.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -51.68 -48.2 63.57 Favored 'General case' 0 C--O 1.217 -0.622 0 C-N-CA 125.008 1.323 . . . . 1.0 111.399 175.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 53.8 mt -49.49 -54.65 6.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 125.504 1.522 . . . . 1.0 111.754 176.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -60.48 -39.25 86.99 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 122.851 0.46 . . . . 1.0 111.306 177.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 85.4 mtp -73.26 -10.08 59.39 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.453 1.501 . . . . 1.0 114.936 174.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -105.52 -8.1 18.25 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 127.614 2.366 . . . . 1.0 110.317 177.083 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.476 0.842 0 C-N-CA 124.731 1.212 . . . . 1.0 111.497 -174.639 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.42 0 CA-C-O 118.584 -0.722 . . . . 1.0 112.411 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.5 -30.54 60.85 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 114.042 1.127 . . . . 1.0 114.042 171.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.0 -49.99 11.03 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.485 1.114 . . . . 1.0 110.564 177.534 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -58.82 -54.93 41.55 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-O 118.809 -0.615 . . . . 1.0 111.612 176.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -46.43 -39.19 10.16 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.54 1.536 . . . . 1.0 113.131 179.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.56 -70.78 0.11 Allowed 'General case' 0 C--N 1.343 0.295 0 CA-C-O 118.086 -0.959 . . . . 1.0 110.868 173.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.13 -38.78 58.57 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.548 0.739 . . . . 1.0 111.616 178.329 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.73 -50.74 72.79 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.698 1.599 . . . . 1.0 112.736 177.347 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.62 -39.21 57.62 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.312 0.645 . . . . 1.0 111.18 172.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.6 mtt180 -69.48 -49.06 58.3 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 118.165 -0.921 . . . . 1.0 110.027 176.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -49.07 -46.07 44.0 Favored 'General case' 0 C--O 1.222 -0.388 0 C-N-CA 127.447 2.299 . . . . 1.0 111.715 178.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 68.7 mt -54.59 -58.75 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 C-N-CA 124.804 1.242 . . . . 1.0 111.01 174.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -59.77 -35.08 73.89 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 121.896 -0.503 . . . . 1.0 111.936 177.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 14.1 mmm -72.69 -9.38 58.56 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 127.141 2.176 . . . . 1.0 114.657 174.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.24 -3.38 16.3 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.369 1.468 . . . . 1.0 110.943 176.539 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.3 m . . . . . 0 N--CA 1.471 0.624 0 C-N-CA 125.514 1.526 . . . . 1.0 111.438 -178.346 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.427 0 N-CA-C 111.739 0.274 . . . . 1.0 111.739 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.83 1.27 10.91 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.08 1.352 . . . . 1.0 114.166 174.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.51 -53.8 2.62 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 125.613 1.565 . . . . 1.0 109.864 177.278 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -61.59 -48.77 79.41 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-O 118.269 -0.872 . . . . 1.0 110.672 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -50.56 -37.52 40.08 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.473 0.916 . . . . 1.0 113.473 -179.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.64 -72.72 0.12 Allowed 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 117.824 -1.084 . . . . 1.0 111.485 172.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -50.49 -43.2 55.47 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.327 1.051 . . . . 1.0 111.047 -179.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.0 tp -51.8 -58.95 4.96 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 127.144 2.178 . . . . 1.0 111.651 173.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.71 -36.82 26.65 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.473 1.033 . . . . 1.0 111.844 177.623 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.1 mtp85 -73.5 -46.64 46.73 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.667 0.787 . . . . 1.0 110.379 177.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -46.56 -45.9 19.07 Favored 'General case' 0 C--O 1.219 -0.519 0 C-N-CA 126.63 1.972 . . . . 1.0 110.952 175.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.1 mm -53.62 -50.74 48.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 125.103 1.361 . . . . 1.0 111.965 177.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -59.11 -49.76 76.64 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.431 0.692 . . . . 1.0 110.724 174.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -65.03 -12.02 45.8 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 115.263 1.579 . . . . 1.0 115.263 176.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 tp -97.46 -12.76 22.3 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 128.181 2.592 . . . . 1.0 110.849 174.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.9 m . . . . . 0 N--CA 1.476 0.872 0 C-N-CA 124.694 1.198 . . . . 1.0 111.698 -176.53 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.424 0 N-CA-C 112.595 0.591 . . . . 1.0 112.595 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.78 -34.42 59.04 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.154 0.982 . . . . 1.0 112.639 175.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -51.62 39.32 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.9 1.28 . . . . 1.0 111.991 176.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -60.19 -44.02 95.42 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.052 0.941 . . . . 1.0 111.652 175.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.65 -40.11 93.74 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.236 -0.915 . . . . 1.0 111.801 175.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.62 -17.06 64.48 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 113.664 0.987 . . . . 1.0 113.664 172.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -81.89 -44.99 16.09 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 119.808 1.186 . . . . 1.0 110.941 169.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.3 tp -55.41 -40.41 71.41 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.155 0.582 . . . . 1.0 112.542 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 60.6 ttt180 -52.02 -39.6 59.76 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.819 0.847 . . . . 1.0 113.012 171.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.2 mtt180 -77.12 -44.87 28.83 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.559 1.144 . . . . 1.0 109.58 179.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -51.56 -47.03 63.6 Favored 'General case' 0 C--O 1.218 -0.558 0 C-N-CA 124.633 1.173 . . . . 1.0 110.983 174.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 29.6 mt -48.47 -54.9 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 126.217 1.807 . . . . 1.0 112.448 174.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -60.82 -29.98 69.81 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 122.886 0.474 . . . . 1.0 111.739 177.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.2 tpp -85.33 -16.59 39.46 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.378 1.471 . . . . 1.0 114.355 177.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 tp -96.73 -14.42 22.02 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 128.735 2.814 . . . . 1.0 110.618 178.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.5 m . . . . . 0 N--CA 1.473 0.713 0 C-N-CA 124.707 1.203 . . . . 1.0 111.074 -177.273 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.467 0.392 0 N-CA-C 112.847 0.684 . . . . 1.0 112.847 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.81 -31.37 27.08 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.472 1.109 . . . . 1.0 112.695 173.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.84 -60.75 2.08 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.166 1.386 . . . . 1.0 111.324 176.644 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -54.59 -40.35 68.75 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.922 1.289 . . . . 1.0 113.03 176.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.27 -46.0 92.16 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.656 0.783 . . . . 1.0 111.234 175.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.14 -29.29 70.68 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 118.596 -0.716 . . . . 1.0 112.331 173.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.31 -54.13 16.13 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.224 1.41 . . . . 1.0 110.856 174.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.7 tp -53.67 -40.39 65.87 Favored 'General case' 0 C--N 1.342 0.279 0 CA-C-O 118.735 -0.65 . . . . 1.0 111.414 178.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -46.9 -44.03 19.38 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 119.043 0.838 . . . . 1.0 112.805 171.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.48 -44.35 58.11 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.53 1.132 . . . . 1.0 110.042 178.443 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -51.97 -50.88 60.39 Favored 'General case' 0 C--O 1.218 -0.588 0 C-N-CA 124.704 1.202 . . . . 1.0 111.064 175.302 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 21.3 mt -51.32 -53.17 16.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 126.079 1.752 . . . . 1.0 110.788 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -59.03 -40.22 84.35 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.543 0.737 . . . . 1.0 111.35 176.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 10.4 mmm -73.43 -8.64 56.72 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.563 1.945 . . . . 1.0 115.269 174.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.29 -9.29 15.51 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 127.465 2.306 . . . . 1.0 110.431 177.492 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.3 m . . . . . 0 CA--C 1.543 0.678 0 C-N-CA 124.437 1.095 . . . . 1.0 110.415 -175.458 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.538 0.483 0 N-CA-C 112.612 0.597 . . . . 1.0 112.612 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.19 -34.25 56.17 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.978 1.311 . . . . 1.0 112.8 173.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -53.42 26.17 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.788 1.235 . . . . 1.0 111.434 176.131 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -57.22 -48.22 79.37 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 123.827 0.851 . . . . 1.0 111.578 174.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.16 -44.67 83.68 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.826 0.85 . . . . 1.0 111.821 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.91 -56.41 22.33 Favored 'General case' 0 C--N 1.342 0.256 0 CA-C-O 118.057 -0.973 . . . . 1.0 111.475 172.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.9 -44.98 64.01 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 119.25 0.932 . . . . 1.0 111.778 176.54 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.9 tt -55.93 -50.05 71.81 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.213 1.405 . . . . 1.0 112.016 177.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.98 -41.68 35.12 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 118.725 0.693 . . . . 1.0 111.809 174.248 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -73.83 -43.86 57.45 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.94 0.896 . . . . 1.0 110.53 178.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -52.31 -48.96 65.11 Favored 'General case' 0 C--O 1.219 -0.542 0 C-N-CA 126.051 1.741 . . . . 1.0 110.554 175.722 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 26.8 mt -46.83 -53.67 2.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 125.374 1.469 . . . . 1.0 111.857 176.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -60.38 -46.2 90.82 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.29 0.636 . . . . 1.0 110.664 178.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 15.6 mmm -66.04 -11.9 51.49 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.24 1.816 . . . . 1.0 115.414 174.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.27 -9.99 17.32 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 127.436 2.294 . . . . 1.0 110.575 176.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 26.5 m . . . . . 0 CA--C 1.544 0.726 0 C-N-CA 125.063 1.345 . . . . 1.0 111.864 -176.324 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.7 tmm? . . . . . 0 CA--C 1.541 0.632 0 CA-C-O 120.491 0.186 . . . . 1.0 110.965 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.01 7.55 3.16 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.925 1.69 . . . . 1.0 114.503 172.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -118.4 -56.05 2.18 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 125.703 1.601 . . . . 1.0 110.175 178.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -63.28 -39.5 94.76 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.136 0.574 . . . . 1.0 111.814 179.196 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.62 -39.59 88.79 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 120.971 -1.081 . . . . 1.0 112.327 179.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.34 -26.22 66.41 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 118.338 -0.839 . . . . 1.0 112.623 172.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -71.32 -43.64 66.67 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.669 1.588 . . . . 1.0 111.968 173.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 24.7 tp -58.39 -45.81 87.6 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.416 0.687 . . . . 1.0 111.087 177.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.01 -38.4 17.01 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.861 0.864 . . . . 1.0 112.062 173.717 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.01 -52.41 14.51 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.115 0.966 . . . . 1.0 109.526 177.644 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -47.25 -40.47 16.59 Favored 'General case' 0 C--O 1.223 -0.301 0 C-N-CA 125.009 1.324 . . . . 1.0 112.076 177.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 27.5 mt -57.97 -63.08 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 C-N-CA 125.62 1.568 . . . . 1.0 112.374 173.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -58.65 -35.54 72.69 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 117.924 0.329 . . . . 1.0 111.112 178.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 8.1 tpp -67.26 -10.25 48.84 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.695 1.598 . . . . 1.0 113.848 175.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.83 0.1 20.13 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.977 1.711 . . . . 1.0 110.786 175.765 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.5 m . . . . . 0 CA--C 1.542 0.672 0 O-C-N 121.384 -0.823 . . . . 1.0 110.513 -174.5 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.384 0 N-CA-C 111.885 0.328 . . . . 1.0 111.885 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.4 -33.07 65.43 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.78 1.232 . . . . 1.0 112.993 172.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.51 -57.25 4.97 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.332 1.053 . . . . 1.0 110.671 176.638 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -55.71 -44.47 77.45 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.143 0.977 . . . . 1.0 112.968 175.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.51 -42.2 95.92 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.241 -0.912 . . . . 1.0 112.189 175.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.48 -29.39 67.79 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 118.541 -0.742 . . . . 1.0 112.546 171.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.83 -44.09 64.46 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.346 1.059 . . . . 1.0 111.495 173.186 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 tp -55.66 -43.38 76.22 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.393 0.677 . . . . 1.0 111.816 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.26 -31.72 21.99 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.536 1.134 . . . . 1.0 113.294 171.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.4 mtp85 -87.9 -40.32 14.06 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.545 1.138 . . . . 1.0 109.791 179.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -58.33 -34.86 71.08 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.15 1.38 . . . . 1.0 112.743 175.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.9 mt -58.76 -25.99 30.54 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 C-N-CA 124.937 1.295 . . . . 1.0 112.085 171.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -86.67 -42.87 13.06 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.074 -1.016 . . . . 1.0 111.189 172.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -19.85 63.89 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 113.532 0.938 . . . . 1.0 113.532 179.243 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.9 tt -93.23 -7.21 45.78 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.141 1.376 . . . . 1.0 112.084 176.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.3 m . . . . . 0 N--CA 1.478 0.959 0 C-N-CA 125.241 1.416 . . . . 1.0 112.388 -175.963 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.537 0.443 0 N-CA-C 112.248 0.462 . . . . 1.0 112.248 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.06 -37.21 52.98 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.615 1.166 . . . . 1.0 112.864 171.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.05 -56.8 13.8 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.49 0.716 . . . . 1.0 110.586 175.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -56.91 -45.16 82.84 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.403 1.081 . . . . 1.0 113.297 176.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.44 -48.43 80.73 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.3 0.64 . . . . 1.0 111.108 176.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.18 -30.66 71.21 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 118.764 -0.636 . . . . 1.0 112.105 174.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -68.21 -48.28 65.6 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.514 1.526 . . . . 1.0 112.026 174.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.85 -45.95 71.09 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.123 0.969 . . . . 1.0 110.77 176.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.0 ttt85 -46.99 -44.05 19.84 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 118.511 0.596 . . . . 1.0 111.875 174.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.33 -47.56 55.76 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 124.416 1.086 . . . . 1.0 109.538 178.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -48.55 -45.25 37.38 Favored 'General case' 0 C--O 1.222 -0.359 0 C-N-CA 125.747 1.619 . . . . 1.0 111.959 176.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 96.3 mt -54.74 -60.14 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 125.337 1.455 . . . . 1.0 111.138 175.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -61.47 -35.03 76.47 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.037 0.535 . . . . 1.0 111.732 178.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 8.4 tpp -69.33 -9.1 51.8 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.461 1.905 . . . . 1.0 113.714 174.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -111.52 1.51 16.94 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.764 1.626 . . . . 1.0 110.76 174.213 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 16.3 m . . . . . 0 N--CA 1.472 0.638 0 C-N-CA 124.461 1.104 . . . . 1.0 110.583 -177.163 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.875 0 N-CA-C 109.353 -0.61 . . . . 1.0 109.353 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -74.65 163.32 36.11 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 122.919 2.413 . . . . 1.0 111.174 175.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -167.12 111.75 0.73 Allowed 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.754 1.221 . . . . 1.0 109.071 178.411 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 36.41 75.69 0.5 Allowed Pre-proline 0 N--CA 1.478 0.974 0 C-N-CA 126.502 1.921 . . . . 1.0 113.468 -177.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.88 151.16 62.42 Favored 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 121.752 1.634 . . . . 1.0 110.927 -178.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -148.06 119.25 7.76 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 106.739 -1.578 . . . . 1.0 106.739 178.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -44.44 94.62 0.08 OUTLIER Pre-proline 0 CA--C 1.543 0.673 0 C-N-CA 126.673 1.989 . . . . 1.0 111.36 177.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -79.82 168.39 19.33 Favored 'Trans proline' 0 N--CA 1.453 -0.897 0 C-N-CA 121.713 1.609 . . . . 1.0 109.504 -177.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -41.29 -74.03 0.18 Allowed Glycine 0 CA--C 1.533 1.164 0 C-N-CA 125.553 1.549 . . . . 1.0 114.227 -171.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -153.16 59.26 0.78 Allowed 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 122.98 1.372 . . . . 1.0 112.511 -173.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -159.83 113.72 2.25 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 125.128 1.371 . . . . 1.0 108.605 -177.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -50.35 136.61 19.95 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.464 -0.773 . . . . 1.0 109.924 171.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 72.7 p -44.65 148.43 0.92 Allowed Pre-proline 0 CA--C 1.539 0.523 0 C-N-CA 125.29 1.436 . . . . 1.0 112.599 -175.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -67.11 -11.94 34.15 Favored 'Trans proline' 0 CA--C 1.541 0.838 0 C-N-CA 121.472 1.448 . . . . 1.0 112.838 -175.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -73.09 -18.12 61.34 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.416 1.086 . . . . 1.0 113.569 169.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.04 -55.76 5.03 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 119.248 0.931 . . . . 1.0 110.763 -176.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -23.22 66.58 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.736 0.814 . . . . 1.0 112.578 175.182 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.79 -38.73 70.31 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.595 0.758 . . . . 1.0 112.346 173.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.06 -56.54 19.78 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.308 1.043 . . . . 1.0 110.932 175.008 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -57.63 -43.28 84.73 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.298 1.039 . . . . 1.0 113.41 176.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.56 -44.27 93.32 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.305 0.642 . . . . 1.0 111.476 175.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.63 -43.24 99.3 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 118.362 -0.828 . . . . 1.0 112.166 171.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -53.48 -46.04 69.84 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.284 1.434 . . . . 1.0 111.437 175.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.73 -44.87 96.1 Favored 'General case' 0 CA--C 1.535 0.386 0 O-C-N 121.564 -0.71 . . . . 1.0 112.551 176.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.02 -37.44 45.2 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 118.777 0.717 . . . . 1.0 111.587 173.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -70.1 -45.68 66.46 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.4 0.68 . . . . 1.0 109.997 178.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -45.65 -44.02 12.95 Favored 'General case' 0 C--O 1.218 -0.559 0 C-N-CA 124.862 1.265 . . . . 1.0 111.414 175.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.9 mm -54.76 -48.64 72.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 124.778 1.231 . . . . 1.0 112.327 178.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -59.55 -46.87 87.61 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.079 0.551 . . . . 1.0 110.458 174.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.0 mpp? -69.3 -11.04 60.47 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 115.591 1.7 . . . . 1.0 115.591 176.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.1 tp -105.35 -9.75 17.4 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 127.573 2.349 . . . . 1.0 110.576 175.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.3 m 58.46 16.36 4.12 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.574 1.55 . . . . 1.0 112.379 -175.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -159.34 157.63 27.38 Favored Pre-proline 0 N--CA 1.469 0.492 0 C-N-CA 126.252 1.821 . . . . 1.0 111.484 -176.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -73.92 157.96 46.73 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 122.525 2.15 . . . . 1.0 112.1 174.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -105.12 -27.67 11.47 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.825 1.25 . . . . 1.0 112.887 178.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 57.49 -173.35 0.08 Allowed 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.75 1.62 . . . . 1.0 113.625 178.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.542 0 O-C-N 119.297 -2.127 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.064 0 N-CA-C 109.8 -0.445 . . . . 1.0 109.8 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -77.14 -59.95 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 123.035 2.49 . . . . 1.0 111.548 177.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -166.8 65.61 0.09 Allowed 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.914 1.286 . . . . 1.0 110.311 -177.585 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 54.85 76.61 0.5 Allowed Pre-proline 0 CA--C 1.55 0.943 0 C-N-CA 125.58 1.552 . . . . 1.0 112.884 -177.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -69.66 157.26 61.18 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 122.073 1.849 . . . . 1.0 111.998 -176.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -89.45 162.25 15.84 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.05 0.94 . . . . 1.0 111.336 176.131 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -146.0 155.02 51.44 Favored Pre-proline 0 CA--C 1.539 0.52 0 C-N-CA 124.508 1.123 . . . . 1.0 110.079 -178.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -70.91 156.53 60.18 Favored 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 122.364 2.043 . . . . 1.0 111.728 178.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 132.0 136.47 3.85 Favored Glycine 0 CA--C 1.532 1.137 0 C-N-CA 125.173 1.368 . . . . 1.0 111.714 -178.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -141.01 88.18 2.16 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.487 1.115 . . . . 1.0 109.47 178.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -174.97 92.55 0.07 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.577 1.551 . . . . 1.0 109.259 178.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -161.25 175.86 11.85 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.224 1.01 . . . . 1.0 109.768 173.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.8 p -47.88 149.59 2.28 Favored Pre-proline 0 CA--C 1.543 0.696 0 C-N-CA 125.375 1.47 . . . . 1.0 112.458 174.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -69.05 -10.43 29.12 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 122.168 1.912 . . . . 1.0 113.003 -178.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -78.68 -23.23 45.76 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.521 1.128 . . . . 1.0 113.369 169.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -85.76 -51.79 6.2 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-N 118.728 0.694 . . . . 1.0 110.147 -177.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.7 tmm? -63.38 -20.78 65.83 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.668 0.618 . . . . 1.0 112.668 -178.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.35 -33.59 43.63 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.987 1.315 . . . . 1.0 113.033 169.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -68.32 -56.56 8.14 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.492 1.117 . . . . 1.0 111.196 175.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -55.21 -49.18 72.61 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 124.112 0.965 . . . . 1.0 112.086 175.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.81 -39.93 72.02 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.277 1.031 . . . . 1.0 111.854 178.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.06 -62.51 1.83 Allowed 'General case' 0 C--N 1.344 0.348 0 CA-C-O 118.0 -1.0 . . . . 1.0 110.754 173.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.34 -48.23 65.6 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 118.775 0.716 . . . . 1.0 110.801 178.369 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.94 -50.66 57.4 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 125.39 1.476 . . . . 1.0 112.432 175.432 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -54.31 -41.34 68.86 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.608 1.095 . . . . 1.0 111.298 177.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.0 mtp180 -69.62 -46.68 65.67 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.964 0.906 . . . . 1.0 110.194 177.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -53.8 -52.02 61.64 Favored 'General case' 0 C--O 1.215 -0.717 0 C-N-CA 126.567 1.947 . . . . 1.0 110.816 177.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.75 -54.42 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 C-N-CA 126.041 1.736 . . . . 1.0 111.568 175.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.4 t30 -61.02 -44.99 96.59 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.047 0.539 . . . . 1.0 110.838 179.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 7.4 mmm -66.77 -14.69 62.9 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.244 1.818 . . . . 1.0 115.101 173.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.6 tp -99.98 -11.01 20.98 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 127.975 2.51 . . . . 1.0 110.328 177.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.1 m 56.4 23.32 7.26 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.606 1.162 . . . . 1.0 111.901 -175.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.93 91.16 33.67 Favored Pre-proline 0 N--CA 1.471 0.604 0 C-N-CA 124.702 1.201 . . . . 1.0 110.415 -176.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -69.6 154.56 68.2 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 122.609 2.206 . . . . 1.0 112.338 177.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.69 -26.07 14.48 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.197 0.999 . . . . 1.0 112.932 178.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 48.54 77.2 0.1 Allowed 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 127.085 2.154 . . . . 1.0 113.576 176.009 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.614 0 O-C-N 118.559 -2.588 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.139 0 CA-C-O 117.651 -1.166 . . . . 1.0 110.404 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -73.59 91.72 0.88 Allowed 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 123.792 2.994 . . . . 1.0 110.791 -179.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 44.68 80.98 0.04 OUTLIER 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.666 1.986 . . . . 1.0 111.278 -177.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.86 148.96 3.44 Favored Pre-proline 0 CA--C 1.541 0.616 0 C-N-CA 123.481 0.712 . . . . 1.0 111.48 -176.139 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -68.2 -2.5 9.06 Favored 'Trans proline' 0 CA--C 1.538 0.681 0 C-N-CA 122.592 2.195 . . . . 1.0 113.863 -178.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 69.12 112.26 0.05 OUTLIER 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 128.465 2.706 . . . . 1.0 111.427 176.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -143.71 86.66 8.59 Favored Pre-proline 0 CA--C 1.538 0.49 0 O-C-N 121.721 -0.612 . . . . 1.0 110.095 -172.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -70.75 -8.87 24.59 Favored 'Trans proline' 0 CA--C 1.541 0.865 0 C-N-CA 122.549 2.166 . . . . 1.0 113.245 176.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 79.96 69.05 1.42 Allowed Glycine 0 C--N 1.34 0.797 0 C-N-CA 124.431 1.015 . . . . 1.0 111.805 178.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -141.69 166.49 24.6 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.86 1.664 . . . . 1.0 110.213 -178.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.9 t30 61.72 87.38 0.1 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 126.301 1.841 . . . . 1.0 113.242 175.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 63.76 159.16 0.09 Allowed 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.463 1.505 . . . . 1.0 112.07 -162.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.6 p -59.41 151.16 61.17 Favored Pre-proline 0 CA--C 1.542 0.643 0 O-C-N 121.336 -0.852 . . . . 1.0 111.204 178.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -67.55 -12.27 35.05 Favored 'Trans proline' 0 CA--C 1.538 0.705 0 C-N-CA 122.068 1.846 . . . . 1.0 112.929 -177.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -74.69 -19.23 60.34 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.697 1.199 . . . . 1.0 113.233 171.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -80.8 -52.21 7.76 Favored 'General case' 0 C--N 1.343 0.321 0 CA-C-N 119.027 0.83 . . . . 1.0 110.543 -178.253 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -26.13 68.69 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.361 0.664 . . . . 1.0 111.905 178.103 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.19 -37.13 61.69 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.263 1.025 . . . . 1.0 112.275 172.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.31 -55.69 19.62 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.317 1.047 . . . . 1.0 111.29 176.487 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -59.12 -42.32 90.32 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 124.063 0.945 . . . . 1.0 112.576 176.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.36 -42.63 99.01 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.701 -0.625 . . . . 1.0 111.159 176.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.68 -36.39 83.51 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 118.758 -0.639 . . . . 1.0 112.151 172.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.32 -49.33 74.36 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.761 1.224 . . . . 1.0 111.621 174.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -50.42 -48.67 56.09 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 124.46 1.104 . . . . 1.0 111.092 176.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.9 ttt180 -47.19 -42.28 19.68 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 119.377 0.99 . . . . 1.0 112.428 174.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.8 mtp180 -74.41 -44.78 50.42 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.991 1.316 . . . . 1.0 110.244 178.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -53.67 -48.45 69.44 Favored 'General case' 0 C--O 1.217 -0.64 0 C-N-CA 125.469 1.508 . . . . 1.0 111.707 176.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 95.9 mt -50.0 -55.54 5.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 126.48 1.912 . . . . 1.0 110.446 176.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -57.47 -42.29 82.29 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 122.634 0.373 . . . . 1.0 111.337 176.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.2 tpp -73.82 -9.49 58.7 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.221 1.408 . . . . 1.0 114.68 176.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tp -102.85 -12.54 17.48 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 128.62 2.768 . . . . 1.0 110.001 178.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.3 m 56.93 24.91 9.92 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.588 1.155 . . . . 1.0 111.72 -177.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.91 142.7 18.14 Favored Pre-proline 0 N--CA 1.467 0.394 0 C-N-CA 124.672 1.189 . . . . 1.0 110.426 -174.341 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -70.64 178.41 5.14 Favored 'Trans proline' 0 CA--C 1.539 0.771 0 C-N-CA 123.782 2.988 . . . . 1.0 112.444 178.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -63.25 119.38 9.5 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 123.347 0.659 . . . . 1.0 110.104 173.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -48.05 120.68 3.66 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.978 1.711 . . . . 1.0 111.654 175.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.564 0 O-C-N 119.704 -1.873 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 117.908 -1.044 . . . . 1.0 109.701 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -73.47 -52.2 0.14 Allowed 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 123.125 2.55 . . . . 1.0 111.827 -179.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -79.14 130.41 35.46 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.285 0.634 . . . . 1.0 109.929 172.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -103.51 158.46 31.78 Favored Pre-proline 0 CA--C 1.545 0.764 0 C-N-CA 123.964 0.906 . . . . 1.0 111.477 175.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -74.24 73.56 3.82 Favored 'Trans proline' 0 CA--C 1.543 0.929 0 C-N-CA 123.843 3.029 . . . . 1.0 112.044 -179.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -95.62 112.14 23.92 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.468 1.107 . . . . 1.0 111.766 178.016 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -145.02 61.71 8.35 Favored Pre-proline 0 CA--C 1.549 0.937 0 C-N-CA 125.466 1.506 . . . . 1.0 110.684 176.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -73.24 111.32 3.25 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 122.339 2.026 . . . . 1.0 110.799 177.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.15 83.27 1.52 Allowed Glycine 0 CA--C 1.526 0.754 0 C-N-CA 124.018 0.818 . . . . 1.0 112.336 178.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -135.92 140.25 43.9 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.607 1.563 . . . . 1.0 109.129 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -167.26 82.14 0.21 Allowed 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 126.307 1.843 . . . . 1.0 107.307 175.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.64 162.28 15.69 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 121.561 0.696 . . . . 1.0 109.732 171.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 62.0 p -44.75 147.26 1.13 Allowed Pre-proline 0 CA--C 1.544 0.725 0 C-N-CA 125.512 1.525 . . . . 1.0 113.081 175.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -70.55 -1.9 9.86 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 123.186 2.591 . . . . 1.0 113.128 -178.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -89.13 -17.26 29.57 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.403 1.481 . . . . 1.0 112.757 169.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -109.78 -49.25 3.11 Favored 'General case' 0 C--N 1.346 0.453 0 C-N-CA 124.53 1.132 . . . . 1.0 111.205 -178.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -62.87 -21.44 65.98 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 112.326 0.491 . . . . 1.0 112.326 176.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.88 -31.99 30.41 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.62 1.168 . . . . 1.0 112.477 172.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.74 -58.61 3.18 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.433 1.093 . . . . 1.0 111.86 178.144 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -55.09 -43.63 74.13 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.957 0.903 . . . . 1.0 112.087 175.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.06 -36.59 77.66 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 121.236 -0.915 . . . . 1.0 112.129 175.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.41 -13.89 62.61 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.683 0.994 . . . . 1.0 113.683 173.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -82.36 -47.42 12.35 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.224 1.41 . . . . 1.0 110.361 168.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -57.57 -39.93 77.84 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 112.745 0.646 . . . . 1.0 112.745 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -50.02 -43.28 50.68 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.292 0.637 . . . . 1.0 112.117 170.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -73.52 -46.92 44.87 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.879 0.872 . . . . 1.0 109.429 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -50.11 -47.19 54.07 Favored 'General case' 0 C--O 1.221 -0.419 0 C-N-CA 125.101 1.36 . . . . 1.0 110.952 175.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 42.5 mt -53.24 -59.48 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 C-N-CA 124.711 1.204 . . . . 1.0 111.411 176.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -61.01 -26.41 67.58 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 112.107 0.41 . . . . 1.0 112.107 178.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.7 mtp -82.24 -9.16 59.59 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 126.617 1.967 . . . . 1.0 115.068 173.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -114.09 -0.09 14.12 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.736 1.614 . . . . 1.0 110.23 175.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.9 m 62.55 24.49 14.58 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.784 1.234 . . . . 1.0 110.637 -176.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -43.93 101.48 0.25 Allowed Pre-proline 0 N--CA 1.478 0.944 0 C-N-CA 125.717 1.607 . . . . 1.0 110.566 -168.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -77.98 71.12 6.77 Favored 'Trans proline' 0 N--CA 1.455 -0.768 0 C-N-CA 122.918 2.412 . . . . 1.0 108.657 -173.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.72 115.21 3.19 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 125.563 1.545 . . . . 1.0 108.334 177.31 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 57.71 177.25 0.05 Allowed 'General case' 0 CA--C 1.548 0.882 0 CA-C-O 124.173 1.94 . . . . 1.0 113.863 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.714 0 O-C-N 117.633 -3.167 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.957 0 CA-C-O 116.953 -1.499 . . . . 1.0 111.704 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -73.54 -48.01 0.27 Allowed 'Trans proline' 0 C--N 1.354 0.868 0 C-N-CA 122.061 1.84 . . . . 1.0 112.296 -179.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.0 mp -89.4 120.66 30.93 Favored 'General case' 0 C--O 1.232 0.138 0 C-N-CA 124.436 1.094 . . . . 1.0 109.132 175.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 53.58 89.15 0.11 Allowed Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 125.977 1.711 . . . . 1.0 111.893 -176.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -71.65 81.07 1.35 Allowed 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 122.725 2.284 . . . . 1.0 110.939 179.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -69.58 105.61 2.73 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.328 1.051 . . . . 1.0 110.774 178.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -155.16 90.47 2.97 Favored Pre-proline 0 CA--C 1.543 0.689 0 C-N-CA 124.215 1.006 . . . . 1.0 109.63 -178.283 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -75.21 78.84 2.85 Favored 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 123.26 2.64 . . . . 1.0 109.92 174.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -142.21 -177.8 17.64 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 126.92 2.2 . . . . 1.0 110.775 175.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.3 p30 -164.65 171.84 13.89 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 127.39 2.276 . . . . 1.0 108.19 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 23.9 t30 53.55 84.96 0.05 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.531 1.532 . . . . 1.0 113.694 175.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -135.87 -179.07 5.43 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.08 0.952 . . . . 1.0 110.578 -179.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 47.4 p -47.76 152.54 1.28 Allowed Pre-proline 0 CA--C 1.543 0.696 0 C-N-CA 125.069 1.348 . . . . 1.0 111.907 173.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -74.76 55.57 3.86 Favored 'Trans proline' 0 CA--C 1.544 0.989 0 C-N-CA 123.722 2.948 . . . . 1.0 111.747 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -94.77 -104.5 0.14 Allowed 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 127.104 2.162 . . . . 1.0 109.02 176.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 48.7 tp60 -66.5 -34.99 79.15 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 120.498 -1.377 . . . . 1.0 112.0 -175.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -58.46 -23.02 56.57 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 118.261 -0.876 . . . . 1.0 112.413 174.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.79 -31.13 62.36 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 119.62 1.1 . . . . 1.0 112.411 175.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -65.32 0.7 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.664 1.185 . . . . 1.0 111.032 172.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -55.32 -40.92 71.73 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.224 1.01 . . . . 1.0 113.301 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.57 -48.89 79.87 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.818 0.847 . . . . 1.0 111.678 173.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.42 -30.11 71.29 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 118.475 -0.774 . . . . 1.0 112.502 174.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -66.86 -49.15 66.6 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.923 1.289 . . . . 1.0 111.22 171.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.5 tp -53.25 -45.84 68.93 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 123.573 0.749 . . . . 1.0 111.238 178.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.65 -39.1 10.73 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 118.861 0.755 . . . . 1.0 112.441 173.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.63 -47.37 22.46 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.583 1.153 . . . . 1.0 109.623 179.074 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -51.83 -38.13 54.6 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.793 1.637 . . . . 1.0 112.82 175.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 89.6 mt -60.8 -54.57 33.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 125.285 1.434 . . . . 1.0 110.69 174.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -60.27 -34.05 73.19 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 118.445 0.566 . . . . 1.0 111.415 176.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 23.6 mmm -76.83 -12.9 60.04 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.483 1.913 . . . . 1.0 115.089 175.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.1 tt -108.55 -7.17 15.78 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.659 1.584 . . . . 1.0 110.633 175.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.6 m 57.68 25.66 12.03 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.968 1.307 . . . . 1.0 110.535 -174.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.29 101.08 0.25 Allowed Pre-proline 0 N--CA 1.476 0.833 0 C-N-CA 125.609 1.564 . . . . 1.0 109.959 -173.018 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -75.77 147.86 31.67 Favored 'Trans proline' 0 N--CA 1.443 -1.459 0 N-CA-C 108.625 -1.336 . . . . 1.0 108.625 -178.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 32.5 mtt-85 64.08 165.14 0.14 Allowed 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.285 1.834 . . . . 1.0 112.017 -176.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -101.14 -61.98 1.3 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.748 1.219 . . . . 1.0 109.169 175.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.557 0 O-C-N 118.612 -2.555 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.076 0 CA-C-O 117.646 -1.168 . . . . 1.0 109.908 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -76.88 -21.78 12.18 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 123.17 2.58 . . . . 1.0 113.901 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.15 99.58 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.895 1.278 . . . . 1.0 110.225 173.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -54.35 33.12 Favored Pre-proline 0 CA--C 1.544 0.713 0 C-N-CA 126.47 1.908 . . . . 1.0 112.75 174.357 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -71.85 -175.7 1.76 Allowed 'Trans proline' 0 C--N 1.355 0.874 0 C-N-CA 122.152 1.901 . . . . 1.0 111.338 172.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 49.13 32.19 3.96 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 125.408 1.483 . . . . 1.0 113.893 178.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -94.2 152.5 40.33 Favored Pre-proline 0 CA--C 1.54 0.589 0 C-N-CA 124.47 1.108 . . . . 1.0 111.717 -170.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -71.75 138.6 32.08 Favored 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 122.201 1.934 . . . . 1.0 110.78 174.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.44 -170.31 23.8 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 125.687 1.613 . . . . 1.0 112.472 176.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -122.13 76.02 1.27 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.719 1.207 . . . . 1.0 111.187 -174.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -160.41 89.2 0.82 Allowed 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.642 0.777 . . . . 1.0 111.215 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.97 -178.72 7.44 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.305 0.642 . . . . 1.0 110.387 175.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 37.4 p -50.18 148.82 5.74 Favored Pre-proline 0 CA--C 1.54 0.581 0 C-N-CA 125.236 1.414 . . . . 1.0 112.429 177.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -67.93 -10.47 28.94 Favored 'Trans proline' 0 CA--C 1.537 0.671 0 C-N-CA 122.443 2.095 . . . . 1.0 112.889 -177.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -80.38 -18.58 48.54 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.46 1.104 . . . . 1.0 113.633 169.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -94.46 -48.79 5.97 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 119.081 0.855 . . . . 1.0 110.804 -175.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.47 -24.42 65.24 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 122.879 0.472 . . . . 1.0 111.85 175.409 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.55 -32.4 50.54 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.564 1.146 . . . . 1.0 112.874 174.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.47 -58.12 3.81 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.96 1.304 . . . . 1.0 111.394 175.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -57.28 -41.17 79.24 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.637 0.606 . . . . 1.0 112.637 176.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.02 -43.58 95.19 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.809 0.844 . . . . 1.0 112.058 174.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.73 -14.82 63.01 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.808 1.04 . . . . 1.0 113.808 171.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -84.01 -42.4 16.23 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.456 1.103 . . . . 1.0 110.901 167.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.96 -42.57 76.43 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.086 0.954 . . . . 1.0 112.644 179.604 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.4 ttt180 -49.68 -43.32 47.22 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.618 0.767 . . . . 1.0 112.393 172.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -75.39 -47.28 28.21 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.547 1.139 . . . . 1.0 109.468 -178.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -52.12 -43.27 63.89 Favored 'General case' 0 C--O 1.221 -0.416 0 C-N-CA 125.282 1.433 . . . . 1.0 111.606 176.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 31.7 mt -54.36 -56.89 7.75 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 C-N-CA 125.875 1.67 . . . . 1.0 112.071 174.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -58.59 -39.9 81.66 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.067 0.547 . . . . 1.0 110.659 177.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 79.1 mtp -70.31 -8.6 51.68 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.716 1.606 . . . . 1.0 115.27 173.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.27 -0.97 16.24 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.247 1.419 . . . . 1.0 111.694 176.273 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.7 m 54.4 25.9 6.5 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.493 1.517 . . . . 1.0 111.803 -177.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -126.62 83.25 65.33 Favored Pre-proline 0 CA--C 1.537 0.454 0 C-N-CA 124.927 1.291 . . . . 1.0 110.937 -173.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -65.12 145.7 85.25 Favored 'Trans proline' 0 N--CA 1.455 -0.751 0 C-N-CA 122.359 2.039 . . . . 1.0 111.186 -178.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.41 127.71 32.45 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 108.849 -0.797 . . . . 1.0 108.849 175.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 58.9 t80 53.35 83.3 0.07 Allowed 'General case' 0 CA--C 1.547 0.829 0 CA-C-O 123.99 1.852 . . . . 1.0 112.445 178.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.556 0 O-C-N 117.734 -3.104 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.971 0 N-CA-C 109.181 -0.674 . . . . 1.0 109.181 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -72.2 159.03 50.77 Favored 'Trans proline' 0 CA--C 1.536 0.594 0 C-N-CA 122.665 2.244 . . . . 1.0 111.138 176.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.28 111.31 7.01 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.011 0.924 . . . . 1.0 110.603 -177.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -143.58 77.71 15.04 Favored Pre-proline 0 CA--C 1.545 0.77 0 C-N-CA 125.171 1.388 . . . . 1.0 110.035 -178.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -74.87 137.86 22.6 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 123.191 2.594 . . . . 1.0 110.179 176.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 52.79 89.05 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.347 1.459 . . . . 1.0 112.291 -176.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -116.5 74.28 6.07 Favored Pre-proline 0 CA--C 1.55 0.974 0 C-N-CA 125.619 1.568 . . . . 1.0 111.048 -176.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -73.17 111.61 3.32 Favored 'Trans proline' 0 CA--C 1.537 0.65 0 C-N-CA 122.37 2.047 . . . . 1.0 111.079 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 121.19 112.53 2.25 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 125.523 1.535 . . . . 1.0 111.719 -178.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -99.66 95.87 7.25 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.912 0.885 . . . . 1.0 110.494 177.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 27.9 p-10 -168.0 75.54 0.13 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.512 1.125 . . . . 1.0 111.625 -176.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -124.32 164.68 19.09 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.305 0.574 . . . . 1.0 110.89 176.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 42.9 p -53.46 150.57 12.13 Favored Pre-proline 0 CA--C 1.54 0.571 0 C-N-CA 124.696 1.198 . . . . 1.0 111.197 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -68.37 -8.7 23.76 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 121.9 1.733 . . . . 1.0 112.798 -177.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -80.91 -22.4 39.76 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.587 1.555 . . . . 1.0 113.17 170.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -76.49 -55.01 5.92 Favored 'General case' 0 C--N 1.345 0.392 0 CA-C-N 119.177 0.899 . . . . 1.0 109.959 -176.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.5 -24.09 67.5 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.999 0.92 . . . . 1.0 112.253 176.361 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.33 -32.26 48.2 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.851 0.86 . . . . 1.0 112.517 174.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -62.83 1.41 Allowed 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.003 1.321 . . . . 1.0 111.226 177.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -52.45 -37.11 56.14 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.155 0.982 . . . . 1.0 112.899 176.558 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.1 -48.05 83.49 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.439 1.095 . . . . 1.0 112.082 173.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.24 -27.05 68.73 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.594 0.757 . . . . 1.0 112.646 174.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -74.58 -40.84 61.38 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.807 1.643 . . . . 1.0 111.64 172.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.62 -46.57 83.96 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 124.008 0.923 . . . . 1.0 111.851 178.314 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -47.75 -38.95 16.55 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 118.765 0.711 . . . . 1.0 112.471 172.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -76.74 -46.85 23.73 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.695 1.198 . . . . 1.0 109.943 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -52.77 -46.29 67.5 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 125.113 1.365 . . . . 1.0 111.709 176.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 97.0 mt -53.68 -53.38 26.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 125.574 1.55 . . . . 1.0 111.336 177.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -57.93 -47.82 81.72 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.756 0.822 . . . . 1.0 110.482 176.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 83.7 mtp -64.89 -6.5 8.45 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 115.181 1.549 . . . . 1.0 115.181 174.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.51 -4.59 17.12 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 127.492 2.317 . . . . 1.0 110.229 173.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.4 m 55.52 26.13 8.68 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.859 1.264 . . . . 1.0 111.149 -174.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.1 ttt85 -45.15 100.46 0.23 Allowed Pre-proline 0 N--CA 1.476 0.827 0 C-N-CA 126.03 1.732 . . . . 1.0 111.946 -168.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -77.37 81.14 2.72 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 122.514 2.143 . . . . 1.0 111.565 -169.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -94.28 -24.15 17.56 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 123.944 0.898 . . . . 1.0 113.103 179.488 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 54.8 p90 -127.18 160.06 32.37 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 126.259 1.824 . . . . 1.0 110.537 -175.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.667 0 O-C-N 119.444 -2.035 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.967 0 CA-C-O 117.322 -1.323 . . . . 1.0 111.675 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -73.2 -41.17 1.37 Allowed 'Trans proline' 0 C--N 1.354 0.847 0 C-N-CA 121.744 1.629 . . . . 1.0 112.222 -179.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -100.44 107.83 19.67 Favored 'General case' 0 C--O 1.232 0.133 0 C-N-CA 124.739 1.216 . . . . 1.0 109.326 179.569 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 66.38 152.52 0.12 Allowed Pre-proline 0 CA--C 1.551 0.997 0 C-N-CA 126.462 1.905 . . . . 1.0 112.576 -176.443 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -71.61 143.29 41.94 Favored 'Trans proline' 0 N--CA 1.456 -0.731 0 C-N-CA 121.603 1.535 . . . . 1.0 110.754 176.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -94.87 87.58 5.03 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.473 1.109 . . . . 1.0 110.326 176.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 28.6 p90 -114.15 87.34 13.03 Favored Pre-proline 0 CA--C 1.545 0.764 0 C-N-CA 124.164 0.986 . . . . 1.0 109.849 -179.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -73.17 -2.21 11.72 Favored 'Trans proline' 0 CA--C 1.545 1.068 0 C-N-CA 122.065 1.844 . . . . 1.0 113.082 175.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -174.19 -110.77 0.26 Allowed Glycine 0 CA--C 1.53 0.992 0 C-N-CA 125.771 1.653 . . . . 1.0 110.834 175.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -127.86 81.77 2.04 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 126.56 1.944 . . . . 1.0 111.503 -172.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -169.23 79.33 0.12 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.129 0.972 . . . . 1.0 111.345 -175.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.83 80.96 8.32 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 108.371 -0.974 . . . . 1.0 108.371 171.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 41.3 p -48.64 152.66 1.62 Allowed Pre-proline 0 CA--C 1.541 0.61 0 C-N-CA 125.029 1.332 . . . . 1.0 111.212 174.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -74.76 53.67 3.3 Favored 'Trans proline' 0 CA--C 1.545 1.068 0 C-N-CA 123.365 2.71 . . . . 1.0 111.981 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.04 -19.23 18.88 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.255 1.822 . . . . 1.0 112.429 175.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -125.26 -48.94 1.7 Allowed 'General case' 0 C--N 1.342 0.26 0 C-N-CA 125.476 1.511 . . . . 1.0 111.196 -179.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -25.38 62.23 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 121.884 -0.51 . . . . 1.0 112.32 176.187 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.6 -30.01 40.36 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.104 0.962 . . . . 1.0 113.223 173.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -58.23 3.44 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.314 1.046 . . . . 1.0 111.489 174.567 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -56.78 -41.62 78.0 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.188 0.995 . . . . 1.0 112.757 177.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.77 -46.34 90.83 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.397 1.079 . . . . 1.0 111.732 174.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.69 -21.36 62.79 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 118.332 -0.842 . . . . 1.0 112.734 172.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -76.29 -48.69 19.24 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.296 1.438 . . . . 1.0 111.633 172.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.61 -40.91 69.37 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.361 0.664 . . . . 1.0 112.365 178.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.14 -43.0 41.29 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.571 0.748 . . . . 1.0 112.092 172.103 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.71 -46.34 31.64 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.799 1.24 . . . . 1.0 109.481 -179.096 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -52.01 -42.44 63.01 Favored 'General case' 0 C--O 1.218 -0.555 0 C-N-CA 124.976 1.31 . . . . 1.0 111.255 176.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 26.0 mt -55.19 -56.23 12.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 C-N-CA 125.625 1.57 . . . . 1.0 112.222 175.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -58.65 -37.26 75.57 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 122.855 0.462 . . . . 1.0 110.553 176.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.4 mmm -73.62 -7.89 53.77 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.948 1.699 . . . . 1.0 115.002 174.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.28 -0.46 13.87 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.58 1.552 . . . . 1.0 111.632 177.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.7 m 55.07 22.83 4.74 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.764 1.626 . . . . 1.0 111.723 -178.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.8 ttp180 -124.87 83.25 59.81 Favored Pre-proline 0 C--O 1.238 0.484 0 C-N-CA 125.038 1.335 . . . . 1.0 110.591 -173.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -62.68 161.84 27.01 Favored 'Trans proline' 0 N--CA 1.451 -0.971 0 C-N-CA 122.445 2.097 . . . . 1.0 111.375 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.9 ptt-85 -56.78 126.11 25.43 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.612 0.765 . . . . 1.0 110.028 174.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -65.14 104.54 0.92 Allowed 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 122.384 1.088 . . . . 1.0 111.401 -178.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.638 0 O-C-N 118.919 -2.363 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.967 0 CA-C-O 117.322 -1.323 . . . . 1.0 111.675 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -73.2 -41.17 1.37 Allowed 'Trans proline' 0 C--N 1.354 0.847 0 C-N-CA 121.744 1.629 . . . . 1.0 112.222 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -100.44 107.83 19.67 Favored 'General case' 0 C--O 1.232 0.133 0 C-N-CA 124.739 1.216 . . . . 1.0 109.326 179.569 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 66.38 152.52 0.12 Allowed Pre-proline 0 CA--C 1.551 0.997 0 C-N-CA 126.462 1.905 . . . . 1.0 112.576 -176.443 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -71.61 143.29 41.94 Favored 'Trans proline' 0 N--CA 1.456 -0.731 0 C-N-CA 121.603 1.535 . . . . 1.0 110.754 176.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -94.87 87.58 5.03 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.473 1.109 . . . . 1.0 110.326 176.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 28.6 p90 -114.15 87.34 13.03 Favored Pre-proline 0 CA--C 1.545 0.764 0 C-N-CA 124.164 0.986 . . . . 1.0 109.849 -179.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -73.17 -2.21 11.72 Favored 'Trans proline' 0 CA--C 1.545 1.068 0 C-N-CA 122.065 1.844 . . . . 1.0 113.082 175.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -174.19 -110.77 0.26 Allowed Glycine 0 CA--C 1.53 0.992 0 C-N-CA 125.771 1.653 . . . . 1.0 110.834 175.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -127.86 81.77 2.04 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 126.56 1.944 . . . . 1.0 111.503 -172.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -169.23 79.33 0.12 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.129 0.972 . . . . 1.0 111.345 -175.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.83 80.96 8.32 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 108.371 -0.974 . . . . 1.0 108.371 171.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 41.3 p -48.64 152.66 1.62 Allowed Pre-proline 0 CA--C 1.541 0.61 0 C-N-CA 125.029 1.332 . . . . 1.0 111.212 174.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -74.76 53.67 3.3 Favored 'Trans proline' 0 CA--C 1.545 1.068 0 C-N-CA 123.365 2.71 . . . . 1.0 111.981 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.04 -19.23 18.88 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.255 1.822 . . . . 1.0 112.429 175.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -125.26 -48.94 1.7 Allowed 'General case' 0 C--N 1.342 0.26 0 C-N-CA 125.476 1.511 . . . . 1.0 111.196 -179.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -25.38 62.23 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 121.884 -0.51 . . . . 1.0 112.32 176.187 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.6 -30.01 40.36 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.104 0.962 . . . . 1.0 113.223 173.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -58.23 3.44 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.314 1.046 . . . . 1.0 111.489 174.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -56.78 -41.62 78.0 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.188 0.995 . . . . 1.0 112.757 177.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.77 -46.34 90.83 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.397 1.079 . . . . 1.0 111.732 174.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.69 -21.36 62.79 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 118.332 -0.842 . . . . 1.0 112.734 172.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -76.29 -48.69 19.24 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.296 1.438 . . . . 1.0 111.633 172.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.61 -40.91 69.37 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.361 0.664 . . . . 1.0 112.365 178.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.14 -43.0 41.29 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.571 0.748 . . . . 1.0 112.092 172.103 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.71 -46.34 31.64 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.799 1.24 . . . . 1.0 109.481 -179.096 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -52.01 -42.44 63.01 Favored 'General case' 0 C--O 1.218 -0.555 0 C-N-CA 124.976 1.31 . . . . 1.0 111.255 176.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 26.0 mt -55.19 -56.23 12.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 C-N-CA 125.625 1.57 . . . . 1.0 112.222 175.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -58.65 -37.26 75.57 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 122.855 0.462 . . . . 1.0 110.553 176.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.4 mmm -73.62 -7.89 53.77 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.948 1.699 . . . . 1.0 115.002 174.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.28 -0.46 13.87 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.58 1.552 . . . . 1.0 111.632 177.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.7 m 55.07 22.83 4.74 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.764 1.626 . . . . 1.0 111.723 -178.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.8 ttp180 -124.87 83.25 59.81 Favored Pre-proline 0 C--O 1.238 0.484 0 C-N-CA 125.038 1.335 . . . . 1.0 110.591 -173.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -62.68 161.84 27.01 Favored 'Trans proline' 0 N--CA 1.451 -0.971 0 C-N-CA 122.445 2.097 . . . . 1.0 111.375 179.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.9 ptt-85 -56.78 126.11 25.43 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.612 0.765 . . . . 1.0 110.028 174.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -65.14 104.54 0.92 Allowed 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 122.384 1.088 . . . . 1.0 111.401 -178.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.638 0 O-C-N 118.919 -2.363 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.941 0 CA-C-O 117.053 -1.451 . . . . 1.0 112.012 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -73.16 -40.36 1.73 Allowed 'Trans proline' 0 C--N 1.355 0.888 0 CA-C-N 121.559 1.592 . . . . 1.0 112.331 -178.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 tt -101.56 107.2 18.41 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 124.751 1.22 . . . . 1.0 109.341 179.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 66.73 151.95 0.12 Allowed Pre-proline 0 CA--C 1.552 1.044 0 C-N-CA 126.877 2.071 . . . . 1.0 112.571 -176.306 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -71.64 142.54 40.17 Favored 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 121.594 1.529 . . . . 1.0 110.87 177.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -93.26 87.76 5.77 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.095 0.958 . . . . 1.0 110.604 176.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 29.5 p90 -114.1 87.47 13.15 Favored Pre-proline 0 CA--C 1.546 0.804 0 C-N-CA 124.258 1.023 . . . . 1.0 110.265 -179.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -73.46 -2.65 12.45 Favored 'Trans proline' 0 CA--C 1.546 1.101 0 C-N-CA 122.27 1.98 . . . . 1.0 113.141 174.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -173.73 -110.9 0.26 Allowed Glycine 0 CA--C 1.53 0.973 0 C-N-CA 125.797 1.665 . . . . 1.0 110.869 174.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -127.08 78.13 1.79 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.657 1.983 . . . . 1.0 111.309 -171.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -165.6 75.73 0.23 Allowed 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.185 0.994 . . . . 1.0 112.343 -175.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.91 82.89 7.39 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.112 -0.992 . . . . 1.0 109.293 170.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 45.8 p -50.95 153.48 3.01 Favored Pre-proline 0 CA--C 1.542 0.638 0 C-N-CA 125.001 1.32 . . . . 1.0 111.336 174.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -75.26 53.76 3.55 Favored 'Trans proline' 0 CA--C 1.545 1.075 0 C-N-CA 123.175 2.583 . . . . 1.0 111.974 179.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.62 -20.09 18.56 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.125 1.77 . . . . 1.0 112.622 175.195 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -124.37 -48.96 1.81 Allowed 'General case' 0 C--N 1.343 0.285 0 C-N-CA 125.646 1.578 . . . . 1.0 111.213 -179.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.5 -25.14 62.05 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 121.802 -0.561 . . . . 1.0 112.357 176.426 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.6 -30.88 44.61 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.102 0.961 . . . . 1.0 113.324 172.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.98 -57.18 4.23 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.168 0.987 . . . . 1.0 111.375 174.445 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -57.82 -41.73 82.85 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.957 0.903 . . . . 1.0 112.811 177.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.64 -46.14 91.44 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.548 1.139 . . . . 1.0 111.793 174.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.05 -22.59 64.72 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 118.15 -0.929 . . . . 1.0 112.704 172.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -74.72 -48.75 24.1 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.918 1.287 . . . . 1.0 111.78 171.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.44 -40.72 68.62 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.332 0.653 . . . . 1.0 112.483 179.083 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.61 -42.67 45.43 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.664 0.786 . . . . 1.0 112.232 171.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.05 -45.94 31.7 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.564 1.145 . . . . 1.0 109.498 -179.236 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -52.14 -42.91 63.74 Favored 'General case' 0 C--O 1.219 -0.535 0 C-N-CA 125.031 1.332 . . . . 1.0 111.315 175.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 24.2 mt -54.31 -55.77 13.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 125.613 1.565 . . . . 1.0 112.26 174.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -59.19 -39.46 82.64 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.08 0.552 . . . . 1.0 110.44 177.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.7 mmm -71.13 -9.1 57.5 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.985 1.714 . . . . 1.0 115.201 174.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.95 -0.14 14.9 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.615 1.566 . . . . 1.0 111.845 177.494 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.7 m 55.03 22.75 4.64 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.965 1.706 . . . . 1.0 112.016 -178.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.5 ttp180 -125.18 83.55 60.6 Favored Pre-proline 0 C--O 1.238 0.479 0 C-N-CA 124.941 1.296 . . . . 1.0 110.711 -172.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -62.97 162.24 26.54 Favored 'Trans proline' 0 N--CA 1.453 -0.898 0 C-N-CA 122.502 2.135 . . . . 1.0 111.726 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.3 ptt-85 -57.05 126.1 25.65 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.931 0.892 . . . . 1.0 110.179 175.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -66.27 104.2 1.15 Allowed 'General case' 0 CA--C 1.54 0.566 0 CA-C-O 122.319 1.057 . . . . 1.0 111.573 -176.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.635 0 O-C-N 118.902 -2.374 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.01 0 CA-C-O 116.43 -1.748 . . . . 1.0 112.92 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -74.22 45.76 1.24 Allowed 'Trans proline' 0 CA--C 1.55 1.303 0 C-N-CA 123.884 3.056 . . . . 1.0 114.147 179.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -159.16 168.55 26.28 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 127.202 2.201 . . . . 1.0 110.757 -177.398 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -164.6 78.59 1.41 Allowed Pre-proline 0 CA--C 1.548 0.867 0 C-N-CA 124.095 0.958 . . . . 1.0 109.307 171.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -71.98 -3.27 12.91 Favored 'Trans proline' 0 CA--C 1.542 0.886 0 C-N-CA 122.536 2.157 . . . . 1.0 113.69 178.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 55.74 169.48 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 128.098 2.559 . . . . 1.0 113.563 -169.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -157.34 87.25 2.65 Favored Pre-proline 0 CA--C 1.542 0.641 0 O-C-N 121.326 -0.859 . . . . 1.0 109.975 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -73.57 133.85 19.5 Favored 'Trans proline' 0 CA--C 1.537 0.668 0 C-N-CA 122.146 1.897 . . . . 1.0 111.199 176.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.72 159.38 19.49 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 125.555 1.55 . . . . 1.0 113.226 -178.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -105.19 83.71 2.01 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.097 1.359 . . . . 1.0 109.414 -176.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -168.21 96.99 0.42 Allowed 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.567 1.147 . . . . 1.0 110.351 178.205 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -154.38 173.47 16.17 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 123.119 0.568 . . . . 1.0 109.976 171.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 38.0 p -53.16 151.09 9.78 Favored Pre-proline 0 CA--C 1.542 0.646 0 C-N-CA 125.013 1.325 . . . . 1.0 111.674 175.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -68.61 -10.66 29.71 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 122.181 1.921 . . . . 1.0 112.751 -177.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -81.36 -18.74 44.56 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.843 1.257 . . . . 1.0 113.283 171.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -90.29 -54.74 3.88 Favored 'General case' 0 C--N 1.344 0.336 0 CA-C-N 118.801 0.728 . . . . 1.0 110.435 -178.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -22.04 66.39 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.712 0.634 . . . . 1.0 112.712 178.292 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.03 -34.22 63.33 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.433 1.093 . . . . 1.0 112.788 173.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -54.57 23.47 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.3 1.04 . . . . 1.0 110.984 175.586 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -58.19 -44.56 88.11 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.292 1.037 . . . . 1.0 112.685 175.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.34 -44.73 92.62 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.677 0.791 . . . . 1.0 112.022 175.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.85 -40.84 85.48 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 118.66 -0.686 . . . . 1.0 111.591 172.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -59.57 -42.7 93.08 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.836 0.744 . . . . 1.0 112.13 173.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.67 -47.01 80.76 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.363 1.065 . . . . 1.0 112.092 178.205 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -49.96 -37.42 32.17 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 118.823 0.738 . . . . 1.0 112.279 173.431 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.5 mtm180 -77.0 -49.28 15.77 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.117 0.967 . . . . 1.0 109.999 179.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -49.92 -40.79 44.5 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.519 1.528 . . . . 1.0 111.044 174.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 34.7 mt -55.57 -59.7 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 C-N-CA 126.128 1.771 . . . . 1.0 112.125 174.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -60.27 -27.94 67.67 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 118.161 0.437 . . . . 1.0 111.283 177.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 9.2 tpp -81.21 -12.67 59.1 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.472 1.509 . . . . 1.0 114.659 175.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -113.51 -1.03 14.22 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.708 1.603 . . . . 1.0 111.423 178.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 30.3 m 64.3 28.38 13.81 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.432 1.893 . . . . 1.0 111.492 -175.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -49.58 99.16 0.21 Allowed Pre-proline 0 N--CA 1.482 1.147 0 C-N-CA 125.263 1.425 . . . . 1.0 111.961 -167.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -72.41 125.01 10.34 Favored 'Trans proline' 0 N--CA 1.448 -1.194 0 C-N-CA 121.575 1.517 . . . . 1.0 108.578 -173.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.1 ttp-105 -125.36 136.76 53.78 Favored 'General case' 0 CA--C 1.522 -0.127 0 C-N-CA 124.251 1.02 . . . . 1.0 109.152 -179.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 60.2 178.68 0.09 Allowed 'General case' 0 CA--C 1.547 0.843 0 CA-C-O 122.806 1.289 . . . . 1.0 112.994 -178.31 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.68 0 O-C-N 118.65 -2.531 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.008 0 CA-C-O 117.211 -1.376 . . . . 1.0 109.26 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_endo -68.87 -42.15 4.76 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.257 1.972 . . . . 1.0 111.581 -179.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.2 mm? 58.03 178.35 0.06 Allowed 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.547 1.539 . . . . 1.0 112.098 -172.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -126.83 162.89 44.66 Favored Pre-proline 0 CA--C 1.542 0.667 0 C-N-CA 123.364 0.666 . . . . 1.0 111.804 177.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -76.72 15.79 1.03 Allowed 'Trans proline' 0 CA--C 1.54 0.816 0 C-N-CA 124.483 3.455 . . . . 1.0 112.485 174.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.57 -179.25 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 122.514 1.149 . . . . 1.0 112.64 169.218 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -48.13 145.28 5.24 Favored Pre-proline 0 CA--C 1.547 0.833 0 C-N-CA 123.732 0.813 . . . . 1.0 113.159 177.729 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -69.77 160.81 48.31 Favored 'Trans proline' 0 N--CA 1.456 -0.693 0 C-N-CA 122.019 1.812 . . . . 1.0 111.182 178.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 146.02 58.7 0.02 OUTLIER Glycine 0 CA--C 1.525 0.682 0 C-N-CA 122.849 0.261 . . . . 1.0 113.021 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.2 p30 -164.07 173.67 12.23 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.989 1.716 . . . . 1.0 110.216 -178.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -153.79 81.64 1.16 Allowed 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.429 1.492 . . . . 1.0 107.617 171.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.89 146.4 28.89 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 109.022 -0.732 . . . . 1.0 109.022 169.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.4 p -50.47 155.04 1.94 Allowed Pre-proline 0 CA--C 1.542 0.657 0 C-N-CA 125.011 1.324 . . . . 1.0 111.717 176.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -74.32 50.43 2.28 Favored 'Trans proline' 0 CA--C 1.547 1.127 0 C-N-CA 123.458 2.772 . . . . 1.0 112.344 -179.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.82 -22.12 17.68 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.584 1.953 . . . . 1.0 112.451 175.026 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -124.9 -47.55 1.8 Allowed 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 125.18 1.392 . . . . 1.0 110.653 -178.431 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -21.82 61.12 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 113.147 0.795 . . . . 1.0 113.147 174.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.58 -29.04 35.51 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.896 0.878 . . . . 1.0 113.08 172.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -73.41 -59.26 2.79 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.856 1.263 . . . . 1.0 111.298 174.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -56.3 -43.29 78.77 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.075 0.95 . . . . 1.0 113.104 176.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.56 -41.68 99.06 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.48 -0.762 . . . . 1.0 111.675 178.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.82 -28.82 66.38 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 118.169 -0.92 . . . . 1.0 112.462 171.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -74.7 -43.37 55.47 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.887 1.275 . . . . 1.0 111.564 172.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.45 -40.76 83.5 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.06 0.944 . . . . 1.0 112.207 179.504 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.59 -34.48 58.55 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.598 0.759 . . . . 1.0 112.889 171.587 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.9 mtt-85 -77.56 -44.65 27.83 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.212 1.005 . . . . 1.0 109.54 177.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -51.68 -48.2 63.57 Favored 'General case' 0 C--O 1.217 -0.622 0 C-N-CA 125.008 1.323 . . . . 1.0 111.399 175.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 53.8 mt -49.49 -54.65 6.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 125.504 1.522 . . . . 1.0 111.754 176.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -60.48 -39.25 86.99 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 122.851 0.46 . . . . 1.0 111.306 177.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 85.4 mtp -73.26 -10.08 59.39 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.453 1.501 . . . . 1.0 114.936 174.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -105.52 -8.1 18.25 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 127.614 2.366 . . . . 1.0 110.317 177.083 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.7 m 57.56 20.98 6.65 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.731 1.212 . . . . 1.0 111.497 -174.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.09 149.98 17.25 Favored Pre-proline 0 C--N 1.346 0.423 0 C-N-CA 124.805 1.242 . . . . 1.0 111.895 -178.113 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -73.49 179.5 5.49 Favored 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 123.445 2.763 . . . . 1.0 112.285 174.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -154.83 86.15 1.12 Allowed 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.7 0.8 . . . . 1.0 110.908 178.455 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 61.27 84.0 0.14 Allowed 'General case' 0 CA--C 1.546 0.807 0 CA-C-O 123.801 1.763 . . . . 1.0 112.884 175.415 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.7 0 O-C-N 117.7 -3.125 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.082 0 CA-C-O 117.528 -1.225 . . . . 1.0 109.865 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -72.88 -89.38 0.0 OUTLIER 'Trans proline' 0 CA--C 1.537 0.654 0 C-N-CA 123.25 2.633 . . . . 1.0 110.795 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -162.26 131.62 4.42 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 126.518 1.927 . . . . 1.0 107.39 176.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -146.6 157.9 47.29 Favored Pre-proline 0 CA--C 1.539 0.526 0 C-N-CA 123.593 0.757 . . . . 1.0 109.785 175.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -75.75 0.7 8.9 Favored 'Trans proline' 0 CA--C 1.542 0.884 0 C-N-CA 123.093 2.529 . . . . 1.0 113.855 173.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 63.99 89.17 0.09 Allowed 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 127.341 2.256 . . . . 1.0 113.145 178.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -142.91 74.85 18.05 Favored Pre-proline 0 CA--C 1.542 0.64 0 CA-C-N 115.775 -0.648 . . . . 1.0 111.383 -172.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -72.04 143.16 39.85 Favored 'Trans proline' 0 N--CA 1.456 -0.688 0 C-N-CA 122.038 1.825 . . . . 1.0 110.878 178.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 156.96 -170.53 34.3 Favored Glycine 0 CA--C 1.525 0.705 0 C-N-CA 124.784 1.183 . . . . 1.0 110.381 -174.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -164.57 80.8 0.38 Allowed 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.579 0.751 . . . . 1.0 110.525 178.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -168.68 101.19 0.4 Allowed 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.421 -0.8 . . . . 1.0 110.282 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -162.73 -174.89 4.15 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.443 0.697 . . . . 1.0 109.7 177.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.0 p -42.57 150.49 0.42 Allowed Pre-proline 0 CA--C 1.541 0.631 0 C-N-CA 126.462 1.905 . . . . 1.0 112.989 172.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -66.83 -6.61 16.13 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.694 2.262 . . . . 1.0 113.466 -177.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -57.71 -18.85 23.29 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 127.121 2.168 . . . . 1.0 112.746 176.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -125.14 -37.79 2.38 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 124.937 1.295 . . . . 1.0 112.271 175.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.96 -28.93 59.22 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 118.584 -0.722 . . . . 1.0 112.411 175.018 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.5 -30.54 60.85 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 114.042 1.127 . . . . 1.0 114.042 171.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.0 -49.99 11.03 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.485 1.114 . . . . 1.0 110.564 177.534 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -58.82 -54.93 41.55 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-O 118.809 -0.615 . . . . 1.0 111.612 176.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -46.43 -39.19 10.16 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.54 1.536 . . . . 1.0 113.131 179.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.56 -70.78 0.11 Allowed 'General case' 0 C--N 1.343 0.295 0 CA-C-O 118.086 -0.959 . . . . 1.0 110.868 173.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.13 -38.78 58.57 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.548 0.739 . . . . 1.0 111.616 178.329 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.73 -50.74 72.79 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.698 1.599 . . . . 1.0 112.736 177.347 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.62 -39.21 57.62 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.312 0.645 . . . . 1.0 111.18 172.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.6 mtt180 -69.48 -49.06 58.3 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 118.165 -0.921 . . . . 1.0 110.027 176.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -49.07 -46.07 44.0 Favored 'General case' 0 C--O 1.222 -0.388 0 C-N-CA 127.447 2.299 . . . . 1.0 111.715 178.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 68.7 mt -54.59 -58.75 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 C-N-CA 124.804 1.242 . . . . 1.0 111.01 174.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -59.77 -35.08 73.89 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 121.896 -0.503 . . . . 1.0 111.936 177.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 14.1 mmm -72.69 -9.38 58.56 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 127.141 2.176 . . . . 1.0 114.657 174.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.24 -3.38 16.3 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.369 1.468 . . . . 1.0 110.943 176.539 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.3 m 55.48 23.13 5.61 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.514 1.526 . . . . 1.0 111.438 -178.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.85 144.89 16.77 Favored Pre-proline 0 CA--C 1.534 0.328 0 C-N-CA 124.222 1.009 . . . . 1.0 111.117 -176.785 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -72.42 179.11 5.38 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 C-N-CA 123.895 3.063 . . . . 1.0 111.789 174.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.25 89.22 0.76 Allowed 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 125.692 1.597 . . . . 1.0 109.306 -178.167 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 51.86 77.49 0.14 Allowed 'General case' 0 CA--C 1.547 0.85 0 CA-C-O 123.778 1.752 . . . . 1.0 113.8 173.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.685 0 O-C-N 118.36 -2.712 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.923 0 CA-C-O 118.769 -0.634 . . . . 1.0 109.514 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -78.73 73.64 5.85 Favored 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 122.581 2.187 . . . . 1.0 110.979 178.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -155.87 44.25 0.44 Allowed 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 113.738 1.014 . . . . 1.0 113.738 -177.149 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -154.14 157.7 32.4 Favored Pre-proline 0 CA--C 1.546 0.803 0 C-N-CA 124.244 1.018 . . . . 1.0 112.282 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -79.46 130.1 8.8 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 123.253 2.636 . . . . 1.0 111.898 174.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -98.25 77.36 2.39 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.286 1.434 . . . . 1.0 110.348 -179.149 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 29.4 t80 44.07 83.45 0.21 Allowed Pre-proline 0 CA--C 1.545 0.751 0 C-N-CA 125.751 1.62 . . . . 1.0 112.968 177.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -70.67 79.32 1.24 Allowed 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 123.335 2.69 . . . . 1.0 109.894 -178.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -72.19 -168.23 10.67 Favored Glycine 0 CA--C 1.525 0.666 0 C-N-CA 126.631 2.062 . . . . 1.0 111.187 172.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -153.25 175.07 13.48 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 123.581 0.753 . . . . 1.0 109.197 -179.654 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 53.39 74.26 0.32 Allowed 'General case' 0 CA--C 1.547 0.84 0 CA-C-O 122.382 1.087 . . . . 1.0 112.835 177.046 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -149.56 155.31 40.1 Favored 'General case' 0 C--O 1.234 0.26 0 O-C-N 121.319 -0.863 . . . . 1.0 109.187 173.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.1 p -58.08 155.79 23.24 Favored Pre-proline 0 CA--C 1.541 0.627 0 C-N-CA 123.8 0.84 . . . . 1.0 110.96 175.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -75.02 54.06 3.53 Favored 'Trans proline' 0 CA--C 1.546 1.107 0 C-N-CA 123.398 2.732 . . . . 1.0 112.274 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.04 -20.11 14.91 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.79 2.036 . . . . 1.0 112.399 176.24 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.63 -45.73 1.76 Allowed 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 125.147 1.379 . . . . 1.0 111.666 -179.748 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -37.74 80.06 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 122.97 0.508 . . . . 1.0 111.739 176.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.83 1.27 10.91 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.08 1.352 . . . . 1.0 114.166 174.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.51 -53.8 2.62 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 125.613 1.565 . . . . 1.0 109.864 177.278 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -61.59 -48.77 79.41 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-O 118.269 -0.872 . . . . 1.0 110.672 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -50.56 -37.52 40.08 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.473 0.916 . . . . 1.0 113.473 -179.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.64 -72.72 0.12 Allowed 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 117.824 -1.084 . . . . 1.0 111.485 172.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -50.49 -43.2 55.47 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.327 1.051 . . . . 1.0 111.047 -179.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.0 tp -51.8 -58.95 4.96 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 127.144 2.178 . . . . 1.0 111.651 173.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.71 -36.82 26.65 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.473 1.033 . . . . 1.0 111.844 177.623 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.1 mtp85 -73.5 -46.64 46.73 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.667 0.787 . . . . 1.0 110.379 177.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -46.56 -45.9 19.07 Favored 'General case' 0 C--O 1.219 -0.519 0 C-N-CA 126.63 1.972 . . . . 1.0 110.952 175.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.1 mm -53.62 -50.74 48.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 125.103 1.361 . . . . 1.0 111.965 177.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -59.11 -49.76 76.64 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.431 0.692 . . . . 1.0 110.724 174.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -65.03 -12.02 45.8 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 115.263 1.579 . . . . 1.0 115.263 176.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 tp -97.46 -12.76 22.3 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 128.181 2.592 . . . . 1.0 110.849 174.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.9 m 56.09 25.44 8.98 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.694 1.198 . . . . 1.0 111.698 -176.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.36 145.61 18.81 Favored Pre-proline 0 N--CA 1.465 0.324 0 CA-C-O 117.798 -1.096 . . . . 1.0 110.46 -176.232 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -71.35 -177.51 2.43 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 123.854 3.036 . . . . 1.0 112.01 176.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.1 ppt_? -125.8 156.9 38.79 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 125.528 1.531 . . . . 1.0 110.945 179.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -133.56 99.06 4.38 Favored 'General case' 0 C--O 1.222 -0.367 0 C-N-CA 124.767 1.227 . . . . 1.0 109.654 -178.457 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.661 0 O-C-N 119.691 -1.88 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.07 0 CA-C-O 117.939 -1.029 . . . . 1.0 110.028 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -76.82 93.73 1.06 Allowed 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 124.137 3.224 . . . . 1.0 111.639 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -129.06 153.13 47.92 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.976 1.71 . . . . 1.0 109.09 178.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 162.34 -59.88 0.0 OUTLIER Pre-proline 0 N--CA 1.479 0.976 0 C-N-CA 127.857 2.463 . . . . 1.0 110.497 -168.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -73.51 -5.62 17.4 Favored 'Trans proline' 0 C--N 1.357 0.998 0 C-N-CA 122.921 2.414 . . . . 1.0 113.792 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.63 146.96 16.83 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 127.954 2.501 . . . . 1.0 108.67 176.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.8 p90 -173.01 86.13 0.4 Allowed Pre-proline 0 CA--C 1.551 0.99 0 C-N-CA 126.362 1.865 . . . . 1.0 109.978 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -76.47 148.48 29.8 Favored 'Trans proline' 0 CA--C 1.539 0.757 0 C-N-CA 121.723 1.615 . . . . 1.0 111.91 176.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 76.14 149.85 2.89 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 125.055 1.312 . . . . 1.0 112.807 -173.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -156.57 79.57 0.95 Allowed 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.022 0.929 . . . . 1.0 110.228 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 21.2 p-10 -174.27 95.29 0.09 Allowed 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.976 1.311 . . . . 1.0 110.598 -175.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -142.43 170.78 15.06 Favored 'General case' 0 C--O 1.233 0.234 0 O-C-N 121.798 -0.564 . . . . 1.0 110.86 172.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 46.4 p -54.6 150.38 17.97 Favored Pre-proline 0 CA--C 1.538 0.503 0 C-N-CA 124.264 1.026 . . . . 1.0 111.415 177.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -69.28 -5.62 16.37 Favored 'Trans proline' 0 CA--C 1.536 0.607 0 C-N-CA 122.148 1.899 . . . . 1.0 112.766 -179.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -86.37 -16.85 36.04 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.788 1.235 . . . . 1.0 113.401 170.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -86.0 -52.72 5.52 Favored 'General case' 0 C--N 1.344 0.363 0 CA-C-N 119.066 0.848 . . . . 1.0 110.399 -177.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -21.87 66.84 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 112.595 0.591 . . . . 1.0 112.595 175.512 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.78 -34.42 59.04 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.154 0.982 . . . . 1.0 112.639 175.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -51.62 39.32 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.9 1.28 . . . . 1.0 111.991 176.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -60.19 -44.02 95.42 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.052 0.941 . . . . 1.0 111.652 175.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.65 -40.11 93.74 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.236 -0.915 . . . . 1.0 111.801 175.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.62 -17.06 64.48 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 113.664 0.987 . . . . 1.0 113.664 172.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -81.89 -44.99 16.09 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 119.808 1.186 . . . . 1.0 110.941 169.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.3 tp -55.41 -40.41 71.41 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.155 0.582 . . . . 1.0 112.542 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 60.6 ttt180 -52.02 -39.6 59.76 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.819 0.847 . . . . 1.0 113.012 171.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.2 mtt180 -77.12 -44.87 28.83 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.559 1.144 . . . . 1.0 109.58 179.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -51.56 -47.03 63.6 Favored 'General case' 0 C--O 1.218 -0.558 0 C-N-CA 124.633 1.173 . . . . 1.0 110.983 174.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 29.6 mt -48.47 -54.9 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 126.217 1.807 . . . . 1.0 112.448 174.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -60.82 -29.98 69.81 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 122.886 0.474 . . . . 1.0 111.739 177.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.2 tpp -85.33 -16.59 39.46 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.378 1.471 . . . . 1.0 114.355 177.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 tp -96.73 -14.42 22.02 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 128.735 2.814 . . . . 1.0 110.618 178.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.5 m 55.65 34.78 23.94 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.707 1.203 . . . . 1.0 111.074 -177.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.37 147.25 28.88 Favored Pre-proline 0 CA--C 1.539 0.543 0 C-N-CA 124.013 0.925 . . . . 1.0 111.797 -172.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -70.73 112.89 3.36 Favored 'Trans proline' 0 N--CA 1.454 -0.826 0 C-N-CA 122.097 1.864 . . . . 1.0 110.349 178.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.66 0.26 54.9 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.832 0.853 . . . . 1.0 113.059 177.074 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -121.39 163.05 19.33 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 127.269 2.228 . . . . 1.0 110.863 -178.15 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.562 0 O-C-N 119.235 -2.166 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.969 0 CA-C-O 117.473 -1.251 . . . . 1.0 109.508 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -75.17 -47.67 0.19 Allowed 'Trans proline' 0 CA--C 1.535 0.563 0 C-N-CA 123.234 2.623 . . . . 1.0 112.503 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -98.51 99.79 10.98 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.721 1.208 . . . . 1.0 108.418 173.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -70.34 -58.23 5.06 Favored Pre-proline 0 CA--C 1.539 0.553 0 CA-C-O 117.653 -1.165 . . . . 1.0 112.09 168.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -73.46 138.15 26.62 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 121.914 1.743 . . . . 1.0 110.988 179.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -95.58 152.77 18.14 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.828 0.823 . . . . 1.0 110.851 177.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -72.45 155.71 90.98 Favored Pre-proline 0 CA--C 1.547 0.852 0 C-N-CA 124.131 0.972 . . . . 1.0 111.45 178.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -70.31 179.72 3.78 Favored 'Trans proline' 0 CA--C 1.54 0.792 0 C-N-CA 122.917 2.412 . . . . 1.0 111.241 171.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.89 -90.53 0.01 OUTLIER Glycine 0 CA--C 1.538 1.488 0 C-N-CA 125.375 1.464 . . . . 1.0 114.625 -178.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -174.86 84.9 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.115 1.366 . . . . 1.0 110.776 173.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 32.6 p-10 -174.35 73.64 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.511 0 O-C-N 121.282 -0.886 . . . . 1.0 112.353 -174.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -152.64 130.04 11.36 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 107.334 -1.358 . . . . 1.0 107.334 172.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 34.8 p -51.1 154.42 2.68 Favored Pre-proline 0 CA--C 1.54 0.571 0 C-N-CA 124.181 0.992 . . . . 1.0 110.909 175.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -75.19 58.62 5.07 Favored 'Trans proline' 0 CA--C 1.543 0.961 0 C-N-CA 122.85 2.366 . . . . 1.0 111.098 178.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -100.17 -19.69 16.31 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.428 1.891 . . . . 1.0 112.41 173.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -125.65 -51.73 1.59 Allowed 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 124.823 1.249 . . . . 1.0 110.326 -177.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.67 -25.58 62.94 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 112.847 0.684 . . . . 1.0 112.847 175.545 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.81 -31.37 27.08 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.472 1.109 . . . . 1.0 112.695 173.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.84 -60.75 2.08 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.166 1.386 . . . . 1.0 111.324 176.644 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -54.59 -40.35 68.75 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.922 1.289 . . . . 1.0 113.03 176.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.27 -46.0 92.16 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.656 0.783 . . . . 1.0 111.234 175.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.14 -29.29 70.68 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 118.596 -0.716 . . . . 1.0 112.331 173.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.31 -54.13 16.13 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.224 1.41 . . . . 1.0 110.856 174.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.7 tp -53.67 -40.39 65.87 Favored 'General case' 0 C--N 1.342 0.279 0 CA-C-O 118.735 -0.65 . . . . 1.0 111.414 178.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -46.9 -44.03 19.38 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 119.043 0.838 . . . . 1.0 112.805 171.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.48 -44.35 58.11 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.53 1.132 . . . . 1.0 110.042 178.443 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -51.97 -50.88 60.39 Favored 'General case' 0 C--O 1.218 -0.588 0 C-N-CA 124.704 1.202 . . . . 1.0 111.064 175.302 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 21.3 mt -51.32 -53.17 16.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 126.079 1.752 . . . . 1.0 110.788 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -59.03 -40.22 84.35 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.543 0.737 . . . . 1.0 111.35 176.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 10.4 mmm -73.43 -8.64 56.72 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.563 1.945 . . . . 1.0 115.269 174.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.29 -9.29 15.51 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 127.465 2.306 . . . . 1.0 110.431 177.492 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.3 m 57.0 31.94 20.78 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.437 1.095 . . . . 1.0 110.415 -175.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.61 130.58 13.95 Favored Pre-proline 0 N--CA 1.473 0.706 0 C-N-CA 124.62 1.168 . . . . 1.0 110.353 -174.338 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -69.33 112.06 2.9 Favored 'Trans proline' 0 N--CA 1.454 -0.806 0 C-N-CA 122.438 2.092 . . . . 1.0 111.02 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.48 80.57 1.23 Allowed 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.806 0.842 . . . . 1.0 111.265 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -135.79 129.45 32.51 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 122.181 0.991 . . . . 1.0 110.905 -175.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.638 0 O-C-N 119.073 -2.267 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.967 0 CA-C-O 116.836 -1.554 . . . . 1.0 111.229 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -72.88 177.55 7.53 Favored 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 121.591 1.527 . . . . 1.0 111.12 172.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.9 mp 65.3 92.64 0.07 Allowed 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 127.451 2.3 . . . . 1.0 112.166 -175.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -121.19 164.93 20.97 Favored Pre-proline 0 CA--C 1.542 0.643 0 C-N-CA 123.151 0.58 . . . . 1.0 112.081 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -76.31 10.24 2.21 Favored 'Trans proline' 0 CA--C 1.54 0.798 0 C-N-CA 123.649 2.9 . . . . 1.0 112.902 174.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -44.97 133.35 6.41 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.185 1.794 . . . . 1.0 111.988 174.369 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -63.75 158.61 59.43 Favored Pre-proline 0 CA--C 1.546 0.793 0 O-C-N 121.714 -0.616 . . . . 1.0 112.256 179.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -71.47 174.29 11.14 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 122.688 2.259 . . . . 1.0 111.755 175.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 126.9 128.95 3.21 Favored Glycine 0 CA--C 1.529 0.93 0 C-N-CA 124.721 1.153 . . . . 1.0 111.316 -176.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -72.92 82.21 1.2 Allowed 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.063 1.345 . . . . 1.0 111.045 173.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -172.07 74.59 0.05 OUTLIER 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.202 1.001 . . . . 1.0 111.935 -178.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -155.49 -174.42 4.96 Favored 'General case' 0 C--O 1.237 0.401 0 O-C-N 121.118 -0.989 . . . . 1.0 110.847 176.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 37.7 p -48.85 148.62 3.69 Favored Pre-proline 0 CA--C 1.539 0.555 0 C-N-CA 125.626 1.57 . . . . 1.0 111.82 174.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -67.15 -11.76 33.43 Favored 'Trans proline' 0 CA--C 1.54 0.777 0 C-N-CA 122.498 2.132 . . . . 1.0 113.166 -176.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -80.96 -18.65 46.26 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.7 1.6 . . . . 1.0 113.685 170.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.6 tm0? -87.79 -51.49 5.83 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 119.399 0.999 . . . . 1.0 110.375 -174.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.97 -25.43 63.56 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.256 0.623 . . . . 1.0 112.612 175.221 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.19 -34.25 56.17 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.978 1.311 . . . . 1.0 112.8 173.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -53.42 26.17 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.788 1.235 . . . . 1.0 111.434 176.131 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -57.22 -48.22 79.37 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 123.827 0.851 . . . . 1.0 111.578 174.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.16 -44.67 83.68 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.826 0.85 . . . . 1.0 111.821 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.91 -56.41 22.33 Favored 'General case' 0 C--N 1.342 0.256 0 CA-C-O 118.057 -0.973 . . . . 1.0 111.475 172.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.9 -44.98 64.01 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 119.25 0.932 . . . . 1.0 111.778 176.54 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.9 tt -55.93 -50.05 71.81 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.213 1.405 . . . . 1.0 112.016 177.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.98 -41.68 35.12 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 118.725 0.693 . . . . 1.0 111.809 174.248 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -73.83 -43.86 57.45 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.94 0.896 . . . . 1.0 110.53 178.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -52.31 -48.96 65.11 Favored 'General case' 0 C--O 1.219 -0.542 0 C-N-CA 126.051 1.741 . . . . 1.0 110.554 175.722 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 26.8 mt -46.83 -53.67 2.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 125.374 1.469 . . . . 1.0 111.857 176.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -60.38 -46.2 90.82 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.29 0.636 . . . . 1.0 110.664 178.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 15.6 mmm -66.04 -11.9 51.49 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.24 1.816 . . . . 1.0 115.414 174.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.27 -9.99 17.32 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 127.436 2.294 . . . . 1.0 110.575 176.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 26.5 m 58.59 22.15 9.47 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.063 1.345 . . . . 1.0 111.864 -176.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -149.61 131.2 7.46 Favored Pre-proline 0 C--N 1.344 0.365 0 C-N-CA 124.306 1.042 . . . . 1.0 110.884 -176.049 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.72 72.35 3.13 Favored 'Trans proline' 0 CA--C 1.537 0.656 0 C-N-CA 123.663 2.908 . . . . 1.0 110.913 176.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -56.51 132.67 52.1 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 123.533 0.733 . . . . 1.0 110.578 173.4 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -94.56 -54.52 3.48 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 114.667 -1.151 . . . . 1.0 111.29 176.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.507 0 O-C-N 119.465 -2.022 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.442 ' H2 ' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.478 0.933 0 CA-C-O 117.016 -1.469 . . . . 1.0 111.658 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.442 ' HD2' ' H2 ' ' A' ' 1' ' ' ALA . 20.8 Cg_endo -71.16 -62.13 0.05 OUTLIER 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 122.245 1.963 . . . . 1.0 111.704 -179.372 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 12.2 tp -170.16 122.04 0.66 Allowed 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 127.112 2.165 . . . . 1.0 107.054 -178.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 156.19 -56.25 0.0 OUTLIER Pre-proline 0 N--CA 1.483 1.209 0 C-N-CA 129.508 3.123 . . . . 1.0 111.432 -176.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -77.31 106.55 2.25 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 122.219 1.946 . . . . 1.0 110.807 178.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -149.53 176.64 10.44 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.965 1.706 . . . . 1.0 109.626 176.031 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -35.46 95.45 0.09 OUTLIER Pre-proline 0 CA--C 1.543 0.71 0 C-N-CA 127.596 2.358 . . . . 1.0 112.414 174.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -77.27 172.13 16.54 Favored 'Trans proline' 0 N--CA 1.453 -0.896 0 C-N-CA 121.817 1.678 . . . . 1.0 111.061 -178.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.36 93.58 0.88 Allowed Glycine 0 CA--C 1.524 0.594 0 N-CA-C 109.577 -1.409 . . . . 1.0 109.577 176.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 56.12 74.6 0.38 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.992 2.117 . . . . 1.0 113.05 176.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -162.84 89.23 0.64 Allowed 'General case' 0 CA--C 1.537 0.468 0 O-C-N 121.584 -0.697 . . . . 1.0 112.343 -177.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -157.52 -175.58 5.47 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.489 0.716 . . . . 1.0 110.057 177.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 52.1 p -46.98 150.02 1.44 Allowed Pre-proline 0 CA--C 1.544 0.733 0 C-N-CA 125.578 1.551 . . . . 1.0 112.537 174.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -70.16 -3.71 12.82 Favored 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 122.979 2.452 . . . . 1.0 112.856 -179.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -91.0 -11.52 38.63 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.941 1.696 . . . . 1.0 113.149 170.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -107.52 -47.18 3.68 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 119.461 1.028 . . . . 1.0 111.656 -177.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.7 tmm? -59.77 -34.24 72.74 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 122.573 0.349 . . . . 1.0 110.965 177.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.01 7.55 3.16 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.925 1.69 . . . . 1.0 114.503 172.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -118.4 -56.05 2.18 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 125.703 1.601 . . . . 1.0 110.175 178.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -63.28 -39.5 94.76 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.136 0.574 . . . . 1.0 111.814 179.196 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.62 -39.59 88.79 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 120.971 -1.081 . . . . 1.0 112.327 179.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.34 -26.22 66.41 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 118.338 -0.839 . . . . 1.0 112.623 172.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -71.32 -43.64 66.67 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.669 1.588 . . . . 1.0 111.968 173.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 24.7 tp -58.39 -45.81 87.6 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.416 0.687 . . . . 1.0 111.087 177.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.01 -38.4 17.01 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.861 0.864 . . . . 1.0 112.062 173.717 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.01 -52.41 14.51 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.115 0.966 . . . . 1.0 109.526 177.644 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -47.25 -40.47 16.59 Favored 'General case' 0 C--O 1.223 -0.301 0 C-N-CA 125.009 1.324 . . . . 1.0 112.076 177.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 27.5 mt -57.97 -63.08 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 C-N-CA 125.62 1.568 . . . . 1.0 112.374 173.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -58.65 -35.54 72.69 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 117.924 0.329 . . . . 1.0 111.112 178.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 8.1 tpp -67.26 -10.25 48.84 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.695 1.598 . . . . 1.0 113.848 175.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.83 0.1 20.13 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.977 1.711 . . . . 1.0 110.786 175.765 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.5 m 57.82 32.79 22.41 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.384 -0.823 . . . . 1.0 110.513 -174.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -45.91 116.69 3.49 Favored Pre-proline 0 N--CA 1.475 0.819 0 C-N-CA 124.305 1.042 . . . . 1.0 110.349 -173.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -70.02 162.49 41.99 Favored 'Trans proline' 0 N--CA 1.45 -1.076 0 C-N-CA 121.164 1.243 . . . . 1.0 110.071 177.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 53.41 90.18 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.977 1.711 . . . . 1.0 112.785 -177.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -57.53 118.75 5.52 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 121.65 0.738 . . . . 1.0 111.419 179.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.63 0 O-C-N 119.835 -1.791 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.03 0 CA-C-O 117.669 -1.157 . . . . 1.0 109.573 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -74.19 63.16 5.21 Favored 'Trans proline' 0 CA--C 1.545 1.064 0 C-N-CA 124.196 3.264 . . . . 1.0 112.047 178.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -116.28 87.89 2.78 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 125.489 1.516 . . . . 1.0 109.645 -177.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 163.44 -55.66 0.0 OUTLIER Pre-proline 0 CA--C 1.547 0.829 0 C-N-CA 128.908 2.883 . . . . 1.0 111.377 -174.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -77.94 86.78 1.6 Allowed 'Trans proline' 0 C--N 1.355 0.915 0 C-N-CA 122.988 2.458 . . . . 1.0 111.414 -178.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.33 141.11 17.06 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 125.14 1.376 . . . . 1.0 109.147 173.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -160.25 152.58 17.26 Favored Pre-proline 0 CA--C 1.542 0.642 0 CA-C-O 118.61 -0.71 . . . . 1.0 110.449 175.264 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -74.2 178.49 6.9 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 123.107 2.538 . . . . 1.0 111.825 172.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.43 123.62 2.67 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 124.391 0.996 . . . . 1.0 112.5 -177.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -96.28 85.16 3.89 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.029 1.332 . . . . 1.0 109.714 -177.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -166.86 95.2 0.5 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.161 0.584 . . . . 1.0 110.984 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -155.55 177.77 11.0 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.448 0.699 . . . . 1.0 109.986 175.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 76.8 p -50.59 151.14 4.27 Favored Pre-proline 0 CA--C 1.544 0.714 0 C-N-CA 124.775 1.23 . . . . 1.0 112.216 175.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -69.9 -5.89 17.37 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.655 2.237 . . . . 1.0 112.846 -179.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -89.15 -19.39 25.56 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.686 1.194 . . . . 1.0 113.227 170.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -93.77 -51.3 4.97 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 118.726 0.693 . . . . 1.0 110.037 -177.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -22.36 66.84 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 122.616 0.366 . . . . 1.0 111.885 178.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.4 -33.07 65.43 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.78 1.232 . . . . 1.0 112.993 172.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.51 -57.25 4.97 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.332 1.053 . . . . 1.0 110.671 176.638 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -55.71 -44.47 77.45 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.143 0.977 . . . . 1.0 112.968 175.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.51 -42.2 95.92 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.241 -0.912 . . . . 1.0 112.189 175.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.48 -29.39 67.79 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 118.541 -0.742 . . . . 1.0 112.546 171.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.83 -44.09 64.46 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.346 1.059 . . . . 1.0 111.495 173.186 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 tp -55.66 -43.38 76.22 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.393 0.677 . . . . 1.0 111.816 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.26 -31.72 21.99 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.536 1.134 . . . . 1.0 113.294 171.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.4 mtp85 -87.9 -40.32 14.06 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.545 1.138 . . . . 1.0 109.791 179.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -58.33 -34.86 71.08 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.15 1.38 . . . . 1.0 112.743 175.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.9 mt -58.76 -25.99 30.54 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 C-N-CA 124.937 1.295 . . . . 1.0 112.085 171.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -86.67 -42.87 13.06 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.074 -1.016 . . . . 1.0 111.189 172.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -19.85 63.89 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 113.532 0.938 . . . . 1.0 113.532 179.243 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.9 tt -93.23 -7.21 45.78 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.141 1.376 . . . . 1.0 112.084 176.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.3 m 58.43 19.59 6.61 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.241 1.416 . . . . 1.0 112.388 -175.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.26 160.83 16.38 Favored Pre-proline 0 CA--C 1.543 0.675 0 C-N-CA 125.293 1.437 . . . . 1.0 111.047 -176.226 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -73.25 -179.14 4.11 Favored 'Trans proline' 0 N--CA 1.455 -0.757 0 C-N-CA 123.351 2.701 . . . . 1.0 112.255 173.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -132.95 120.9 22.04 Favored 'General case' 0 C--O 1.226 -0.146 0 C-N-CA 125.614 1.566 . . . . 1.0 108.894 177.238 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -43.66 -49.67 7.68 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.013 1.725 . . . . 1.0 112.964 172.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 119.455 -2.028 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.811 0 CA-C-O 116.034 -1.936 . . . . 1.0 111.014 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -68.98 118.17 5.5 Favored 'Trans proline' 0 C--N 1.352 0.742 0 C-N-CA 122.445 2.096 . . . . 1.0 109.796 -178.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -175.96 -28.97 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.875 1.67 . . . . 1.0 110.727 175.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.77 154.93 84.25 Favored Pre-proline 0 CA--C 1.547 0.861 0 N-CA-C 112.023 0.379 . . . . 1.0 112.023 177.236 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -71.74 175.34 9.75 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 122.287 1.991 . . . . 1.0 111.864 173.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -76.85 159.62 29.91 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.563 -0.711 . . . . 1.0 111.696 174.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -132.6 83.1 54.83 Favored Pre-proline 0 CA--C 1.54 0.587 0 C-N-CA 125.245 1.418 . . . . 1.0 108.604 -176.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -69.34 179.84 3.2 Favored 'Trans proline' 0 CA--C 1.541 0.865 0 C-N-CA 122.802 2.335 . . . . 1.0 111.225 174.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -72.27 -106.41 0.06 OUTLIER Glycine 0 CA--C 1.536 1.378 0 C-N-CA 123.376 0.512 . . . . 1.0 112.777 179.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -137.25 70.03 1.4 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.129 0.972 . . . . 1.0 111.088 -175.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -162.38 94.29 0.88 Allowed 'General case' 0 CA--C 1.536 0.419 0 O-C-N 121.57 -0.706 . . . . 1.0 111.501 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -153.25 -175.84 5.52 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.284 0.634 . . . . 1.0 110.445 176.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 36.0 p -48.76 149.21 3.21 Favored Pre-proline 0 CA--C 1.543 0.692 0 C-N-CA 125.718 1.607 . . . . 1.0 112.285 174.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -70.19 -4.13 13.7 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.82 2.347 . . . . 1.0 112.981 -177.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -90.32 -15.99 30.08 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.746 1.618 . . . . 1.0 113.062 170.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -100.2 -53.9 3.01 Favored 'General case' 0 C--N 1.343 0.326 0 C-N-CA 123.839 0.855 . . . . 1.0 110.63 -177.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -24.78 67.69 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 112.248 0.462 . . . . 1.0 112.248 177.141 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.06 -37.21 52.98 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.615 1.166 . . . . 1.0 112.864 171.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.05 -56.8 13.8 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.49 0.716 . . . . 1.0 110.586 175.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -56.91 -45.16 82.84 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.403 1.081 . . . . 1.0 113.297 176.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.44 -48.43 80.73 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.3 0.64 . . . . 1.0 111.108 176.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.18 -30.66 71.21 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 118.764 -0.636 . . . . 1.0 112.105 174.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -68.21 -48.28 65.6 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.514 1.526 . . . . 1.0 112.026 174.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.85 -45.95 71.09 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.123 0.969 . . . . 1.0 110.77 176.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.0 ttt85 -46.99 -44.05 19.84 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 118.511 0.596 . . . . 1.0 111.875 174.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.33 -47.56 55.76 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 124.416 1.086 . . . . 1.0 109.538 178.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -48.55 -45.25 37.38 Favored 'General case' 0 C--O 1.222 -0.359 0 C-N-CA 125.747 1.619 . . . . 1.0 111.959 176.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 96.3 mt -54.74 -60.14 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 125.337 1.455 . . . . 1.0 111.138 175.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -61.47 -35.03 76.47 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.037 0.535 . . . . 1.0 111.732 178.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 8.4 tpp -69.33 -9.1 51.8 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.461 1.905 . . . . 1.0 113.714 174.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -111.52 1.51 16.94 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.764 1.626 . . . . 1.0 110.76 174.213 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 16.3 m 60.0 27.32 16.7 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.461 1.104 . . . . 1.0 110.583 -177.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -46.25 100.52 0.23 Allowed Pre-proline 0 N--CA 1.475 0.78 0 C-N-CA 126.132 1.773 . . . . 1.0 111.675 -169.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -76.26 91.94 1.09 Allowed 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 122.292 1.994 . . . . 1.0 110.114 -170.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.8 ppt_? -89.99 144.27 26.06 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 124.326 1.05 . . . . 1.0 110.611 178.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -158.47 151.31 22.38 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 121.794 0.806 . . . . 1.0 110.477 177.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.614 0 O-C-N 119.623 -1.923 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.365 0 N-CA-C 112.578 0.584 . . . . 1.0 112.578 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.79 -38.73 70.31 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.595 0.758 . . . . 1.0 112.346 173.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.06 -56.54 19.78 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.308 1.043 . . . . 1.0 110.932 175.008 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -57.63 -43.28 84.73 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.298 1.039 . . . . 1.0 113.41 176.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.56 -44.27 93.32 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.305 0.642 . . . . 1.0 111.476 175.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.63 -43.24 99.3 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 118.362 -0.828 . . . . 1.0 112.166 171.192 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -53.48 -46.04 69.84 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.284 1.434 . . . . 1.0 111.437 175.213 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.73 -44.87 96.1 Favored 'General case' 0 CA--C 1.535 0.386 0 O-C-N 121.564 -0.71 . . . . 1.0 112.551 176.465 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.02 -37.44 45.2 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 118.777 0.717 . . . . 1.0 111.587 173.48 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -70.1 -45.68 66.46 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.4 0.68 . . . . 1.0 109.997 178.354 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -45.65 -44.02 12.95 Favored 'General case' 0 C--O 1.218 -0.559 0 C-N-CA 124.862 1.265 . . . . 1.0 111.414 175.416 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.9 mm -54.76 -48.64 72.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 124.778 1.231 . . . . 1.0 112.327 178.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -59.55 -46.87 87.61 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.079 0.551 . . . . 1.0 110.458 174.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.0 mpp? -69.3 -11.04 60.47 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 115.591 1.7 . . . . 1.0 115.591 176.23 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.1 tp -105.35 -9.75 17.4 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 127.573 2.349 . . . . 1.0 110.576 175.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.3 m . . . . . 0 CA--C 1.545 0.787 0 C-N-CA 125.574 1.55 . . . . 1.0 112.379 -175.425 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.7 tmm? . . . . . 0 CA--C 1.537 0.446 0 N-CA-C 112.668 0.618 . . . . 1.0 112.668 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.35 -33.59 43.63 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.987 1.315 . . . . 1.0 113.033 169.451 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -68.32 -56.56 8.14 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.492 1.117 . . . . 1.0 111.196 175.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -55.21 -49.18 72.61 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 124.112 0.965 . . . . 1.0 112.086 175.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.81 -39.93 72.02 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.277 1.031 . . . . 1.0 111.854 178.671 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.06 -62.51 1.83 Allowed 'General case' 0 C--N 1.344 0.348 0 CA-C-O 118.0 -1.0 . . . . 1.0 110.754 173.671 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.34 -48.23 65.6 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 118.775 0.716 . . . . 1.0 110.801 178.369 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.94 -50.66 57.4 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 125.39 1.476 . . . . 1.0 112.432 175.432 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -54.31 -41.34 68.86 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.608 1.095 . . . . 1.0 111.298 177.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.0 mtp180 -69.62 -46.68 65.67 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.964 0.906 . . . . 1.0 110.194 177.445 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -53.8 -52.02 61.64 Favored 'General case' 0 C--O 1.215 -0.717 0 C-N-CA 126.567 1.947 . . . . 1.0 110.816 177.422 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.75 -54.42 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 C-N-CA 126.041 1.736 . . . . 1.0 111.568 175.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.4 t30 -61.02 -44.99 96.59 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.047 0.539 . . . . 1.0 110.838 179.136 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 7.4 mmm -66.77 -14.69 62.9 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.244 1.818 . . . . 1.0 115.101 173.684 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.6 tp -99.98 -11.01 20.98 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 127.975 2.51 . . . . 1.0 110.328 177.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.1 m . . . . . 0 CA--C 1.546 0.803 0 C-N-CA 124.606 1.162 . . . . 1.0 111.901 -175.856 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.316 0 CA-C-O 119.291 -0.385 . . . . 1.0 111.905 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.19 -37.13 61.69 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.263 1.025 . . . . 1.0 112.275 172.609 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.31 -55.69 19.62 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.317 1.047 . . . . 1.0 111.29 176.487 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -59.12 -42.32 90.32 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 124.063 0.945 . . . . 1.0 112.576 176.267 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.36 -42.63 99.01 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.701 -0.625 . . . . 1.0 111.159 176.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.68 -36.39 83.51 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 118.758 -0.639 . . . . 1.0 112.151 172.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.32 -49.33 74.36 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.761 1.224 . . . . 1.0 111.621 174.536 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -50.42 -48.67 56.09 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 124.46 1.104 . . . . 1.0 111.092 176.794 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.9 ttt180 -47.19 -42.28 19.68 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 119.377 0.99 . . . . 1.0 112.428 174.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.8 mtp180 -74.41 -44.78 50.42 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.991 1.316 . . . . 1.0 110.244 178.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -53.67 -48.45 69.44 Favored 'General case' 0 C--O 1.217 -0.64 0 C-N-CA 125.469 1.508 . . . . 1.0 111.707 176.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 95.9 mt -50.0 -55.54 5.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 126.48 1.912 . . . . 1.0 110.446 176.126 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -57.47 -42.29 82.29 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 122.634 0.373 . . . . 1.0 111.337 176.32 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.2 tpp -73.82 -9.49 58.7 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.221 1.408 . . . . 1.0 114.68 176.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tp -102.85 -12.54 17.48 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 128.62 2.768 . . . . 1.0 110.001 178.551 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.473 0.709 0 C-N-CA 124.588 1.155 . . . . 1.0 111.72 -177.191 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.538 0.486 0 N-CA-C 112.326 0.491 . . . . 1.0 112.326 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.88 -31.99 30.41 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.62 1.168 . . . . 1.0 112.477 172.423 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.74 -58.61 3.18 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.433 1.093 . . . . 1.0 111.86 178.144 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -55.09 -43.63 74.13 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.957 0.903 . . . . 1.0 112.087 175.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.06 -36.59 77.66 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 121.236 -0.915 . . . . 1.0 112.129 175.027 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.41 -13.89 62.61 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.683 0.994 . . . . 1.0 113.683 173.295 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -82.36 -47.42 12.35 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.224 1.41 . . . . 1.0 110.361 168.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -57.57 -39.93 77.84 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 112.745 0.646 . . . . 1.0 112.745 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -50.02 -43.28 50.68 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.292 0.637 . . . . 1.0 112.117 170.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -73.52 -46.92 44.87 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.879 0.872 . . . . 1.0 109.429 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -50.11 -47.19 54.07 Favored 'General case' 0 C--O 1.221 -0.419 0 C-N-CA 125.101 1.36 . . . . 1.0 110.952 175.655 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 42.5 mt -53.24 -59.48 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 C-N-CA 124.711 1.204 . . . . 1.0 111.411 176.284 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -61.01 -26.41 67.58 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 112.107 0.41 . . . . 1.0 112.107 178.547 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.7 mtp -82.24 -9.16 59.59 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 126.617 1.967 . . . . 1.0 115.068 173.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.506 ' O ' HD12 ' A' ' 31' ' ' LEU . 0.1 OUTLIER -114.09 -0.09 14.12 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.736 1.614 . . . . 1.0 110.23 175.822 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.9 m . . . . . 0 N--CA 1.47 0.557 0 C-N-CA 124.784 1.234 . . . . 1.0 110.637 -176.015 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.533 0.301 0 CA-C-O 118.261 -0.876 . . . . 1.0 112.413 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.79 -31.13 62.36 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 119.62 1.1 . . . . 1.0 112.411 175.448 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -65.32 0.7 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.664 1.185 . . . . 1.0 111.032 172.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -55.32 -40.92 71.73 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.224 1.01 . . . . 1.0 113.301 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.57 -48.89 79.87 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.818 0.847 . . . . 1.0 111.678 173.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.42 -30.11 71.29 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 118.475 -0.774 . . . . 1.0 112.502 174.411 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -66.86 -49.15 66.6 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.923 1.289 . . . . 1.0 111.22 171.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.5 tp -53.25 -45.84 68.93 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 123.573 0.749 . . . . 1.0 111.238 178.455 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.65 -39.1 10.73 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 118.861 0.755 . . . . 1.0 112.441 173.663 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.63 -47.37 22.46 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.583 1.153 . . . . 1.0 109.623 179.074 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -51.83 -38.13 54.6 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.793 1.637 . . . . 1.0 112.82 175.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 89.6 mt -60.8 -54.57 33.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 125.285 1.434 . . . . 1.0 110.69 174.287 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -60.27 -34.05 73.19 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 118.445 0.566 . . . . 1.0 111.415 176.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 23.6 mmm -76.83 -12.9 60.04 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.483 1.913 . . . . 1.0 115.089 175.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.444 HD23 ' O ' ' A' ' 31' ' ' LEU . 10.1 tt -108.55 -7.17 15.78 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.659 1.584 . . . . 1.0 110.633 175.704 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.6 m . . . . . 0 N--CA 1.469 0.5 0 C-N-CA 124.968 1.307 . . . . 1.0 110.535 -174.6 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.428 0 N-CA-C 111.85 0.315 . . . . 1.0 111.85 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.55 -32.4 50.54 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.564 1.146 . . . . 1.0 112.874 174.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.47 -58.12 3.81 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.96 1.304 . . . . 1.0 111.394 175.639 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -57.28 -41.17 79.24 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.637 0.606 . . . . 1.0 112.637 176.666 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.02 -43.58 95.19 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.809 0.844 . . . . 1.0 112.058 174.162 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.73 -14.82 63.01 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.808 1.04 . . . . 1.0 113.808 171.449 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -84.01 -42.4 16.23 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.456 1.103 . . . . 1.0 110.901 167.487 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.96 -42.57 76.43 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.086 0.954 . . . . 1.0 112.644 179.604 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.4 ttt180 -49.68 -43.32 47.22 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.618 0.767 . . . . 1.0 112.393 172.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -75.39 -47.28 28.21 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.547 1.139 . . . . 1.0 109.468 -178.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -52.12 -43.27 63.89 Favored 'General case' 0 C--O 1.221 -0.416 0 C-N-CA 125.282 1.433 . . . . 1.0 111.606 176.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 31.7 mt -54.36 -56.89 7.75 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 C-N-CA 125.875 1.67 . . . . 1.0 112.071 174.036 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -58.59 -39.9 81.66 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.067 0.547 . . . . 1.0 110.659 177.265 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 79.1 mtp -70.31 -8.6 51.68 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.716 1.606 . . . . 1.0 115.27 173.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.27 -0.97 16.24 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.247 1.419 . . . . 1.0 111.694 176.273 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.7 m . . . . . 0 CA--C 1.542 0.671 0 C-N-CA 125.493 1.517 . . . . 1.0 111.803 -177.002 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.193 0 CA-C-O 118.523 -0.751 . . . . 1.0 112.253 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.33 -32.26 48.2 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.851 0.86 . . . . 1.0 112.517 174.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -62.83 1.41 Allowed 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.003 1.321 . . . . 1.0 111.226 177.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -52.45 -37.11 56.14 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.155 0.982 . . . . 1.0 112.899 176.558 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.1 -48.05 83.49 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.439 1.095 . . . . 1.0 112.082 173.186 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.24 -27.05 68.73 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.594 0.757 . . . . 1.0 112.646 174.159 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -74.58 -40.84 61.38 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.807 1.643 . . . . 1.0 111.64 172.354 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.62 -46.57 83.96 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 124.008 0.923 . . . . 1.0 111.851 178.314 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -47.75 -38.95 16.55 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 118.765 0.711 . . . . 1.0 112.471 172.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -76.74 -46.85 23.73 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.695 1.198 . . . . 1.0 109.943 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -52.77 -46.29 67.5 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 125.113 1.365 . . . . 1.0 111.709 176.344 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 97.0 mt -53.68 -53.38 26.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 125.574 1.55 . . . . 1.0 111.336 177.428 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -57.93 -47.82 81.72 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.756 0.822 . . . . 1.0 110.482 176.209 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 83.7 mtp -64.89 -6.5 8.45 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 115.181 1.549 . . . . 1.0 115.181 174.014 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.51 -4.59 17.12 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 127.492 2.317 . . . . 1.0 110.229 173.665 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.4 m . . . . . 0 CA--C 1.542 0.645 0 C-N-CA 124.859 1.264 . . . . 1.0 111.149 -174.956 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.351 0 N-CA-C 112.32 0.489 . . . . 1.0 112.32 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.6 -30.01 40.36 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.104 0.962 . . . . 1.0 113.223 173.312 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -58.23 3.44 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.314 1.046 . . . . 1.0 111.489 174.567 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -56.78 -41.62 78.0 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.188 0.995 . . . . 1.0 112.757 177.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.77 -46.34 90.83 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.397 1.079 . . . . 1.0 111.732 174.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.69 -21.36 62.79 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 118.332 -0.842 . . . . 1.0 112.734 172.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -76.29 -48.69 19.24 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.296 1.438 . . . . 1.0 111.633 172.227 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.61 -40.91 69.37 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.361 0.664 . . . . 1.0 112.365 178.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.14 -43.0 41.29 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.571 0.748 . . . . 1.0 112.092 172.103 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.71 -46.34 31.64 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.799 1.24 . . . . 1.0 109.481 -179.096 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -52.01 -42.44 63.01 Favored 'General case' 0 C--O 1.218 -0.555 0 C-N-CA 124.976 1.31 . . . . 1.0 111.255 176.305 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 26.0 mt -55.19 -56.23 12.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 C-N-CA 125.625 1.57 . . . . 1.0 112.222 175.086 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -58.65 -37.26 75.57 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 122.855 0.462 . . . . 1.0 110.553 176.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.4 mmm -73.62 -7.89 53.77 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.948 1.699 . . . . 1.0 115.002 174.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.28 -0.46 13.87 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.58 1.552 . . . . 1.0 111.632 177.728 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.7 m . . . . . 0 CA--C 1.541 0.624 0 C-N-CA 125.764 1.626 . . . . 1.0 111.723 -178.696 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.351 0 N-CA-C 112.32 0.489 . . . . 1.0 112.32 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.6 -30.01 40.36 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.104 0.962 . . . . 1.0 113.223 173.312 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -58.23 3.44 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.314 1.046 . . . . 1.0 111.489 174.567 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -56.78 -41.62 78.0 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.188 0.995 . . . . 1.0 112.757 177.343 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.77 -46.34 90.83 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.397 1.079 . . . . 1.0 111.732 174.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.69 -21.36 62.79 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 118.332 -0.842 . . . . 1.0 112.734 172.717 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -76.29 -48.69 19.24 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.296 1.438 . . . . 1.0 111.633 172.227 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.61 -40.91 69.37 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.361 0.664 . . . . 1.0 112.365 178.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.14 -43.0 41.29 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.571 0.748 . . . . 1.0 112.092 172.103 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.71 -46.34 31.64 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.799 1.24 . . . . 1.0 109.481 -179.096 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -52.01 -42.44 63.01 Favored 'General case' 0 C--O 1.218 -0.555 0 C-N-CA 124.976 1.31 . . . . 1.0 111.255 176.305 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 26.0 mt -55.19 -56.23 12.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 C-N-CA 125.625 1.57 . . . . 1.0 112.222 175.086 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -58.65 -37.26 75.57 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 122.855 0.462 . . . . 1.0 110.553 176.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.4 mmm -73.62 -7.89 53.77 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.948 1.699 . . . . 1.0 115.002 174.647 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.28 -0.46 13.87 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.58 1.552 . . . . 1.0 111.632 177.728 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.7 m . . . . . 0 CA--C 1.541 0.624 0 C-N-CA 125.764 1.626 . . . . 1.0 111.723 -178.696 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.434 0 N-CA-C 112.357 0.503 . . . . 1.0 112.357 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.6 -30.88 44.61 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.102 0.961 . . . . 1.0 113.324 172.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.98 -57.18 4.23 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.168 0.987 . . . . 1.0 111.375 174.445 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -57.82 -41.73 82.85 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.957 0.903 . . . . 1.0 112.811 177.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.64 -46.14 91.44 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.548 1.139 . . . . 1.0 111.793 174.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.05 -22.59 64.72 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 118.15 -0.929 . . . . 1.0 112.704 172.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -74.72 -48.75 24.1 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.918 1.287 . . . . 1.0 111.78 171.244 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.44 -40.72 68.62 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.332 0.653 . . . . 1.0 112.483 179.083 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.61 -42.67 45.43 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.664 0.786 . . . . 1.0 112.232 171.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.05 -45.94 31.7 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.564 1.145 . . . . 1.0 109.498 -179.236 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -52.14 -42.91 63.74 Favored 'General case' 0 C--O 1.219 -0.535 0 C-N-CA 125.031 1.332 . . . . 1.0 111.315 175.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 24.2 mt -54.31 -55.77 13.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 125.613 1.565 . . . . 1.0 112.26 174.628 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -59.19 -39.46 82.64 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.08 0.552 . . . . 1.0 110.44 177.44 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.7 mmm -71.13 -9.1 57.5 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.985 1.714 . . . . 1.0 115.201 174.329 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.95 -0.14 14.9 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.615 1.566 . . . . 1.0 111.845 177.494 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.7 m . . . . . 0 CA--C 1.543 0.693 0 C-N-CA 125.965 1.706 . . . . 1.0 112.016 -178.354 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.439 0 N-CA-C 112.712 0.634 . . . . 1.0 112.712 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.03 -34.22 63.33 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.433 1.093 . . . . 1.0 112.788 173.683 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -54.57 23.47 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.3 1.04 . . . . 1.0 110.984 175.586 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -58.19 -44.56 88.11 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.292 1.037 . . . . 1.0 112.685 175.645 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.34 -44.73 92.62 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.677 0.791 . . . . 1.0 112.022 175.74 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.85 -40.84 85.48 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 118.66 -0.686 . . . . 1.0 111.591 172.673 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -59.57 -42.7 93.08 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.836 0.744 . . . . 1.0 112.13 173.222 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.67 -47.01 80.76 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.363 1.065 . . . . 1.0 112.092 178.205 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -49.96 -37.42 32.17 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 118.823 0.738 . . . . 1.0 112.279 173.431 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.5 mtm180 -77.0 -49.28 15.77 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.117 0.967 . . . . 1.0 109.999 179.017 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -49.92 -40.79 44.5 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.519 1.528 . . . . 1.0 111.044 174.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 34.7 mt -55.57 -59.7 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 C-N-CA 126.128 1.771 . . . . 1.0 112.125 174.024 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -60.27 -27.94 67.67 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 118.161 0.437 . . . . 1.0 111.283 177.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 9.2 tpp -81.21 -12.67 59.1 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.472 1.509 . . . . 1.0 114.659 175.692 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -113.51 -1.03 14.22 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.708 1.603 . . . . 1.0 111.423 178.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 30.3 m . . . . . 0 CA--C 1.537 0.469 0 C-N-CA 126.432 1.893 . . . . 1.0 111.492 -175.843 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.307 0 N-CA-C 113.147 0.795 . . . . 1.0 113.147 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.58 -29.04 35.51 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.896 0.878 . . . . 1.0 113.08 172.523 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -73.41 -59.26 2.79 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.856 1.263 . . . . 1.0 111.298 174.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -56.3 -43.29 78.77 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.075 0.95 . . . . 1.0 113.104 176.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.56 -41.68 99.06 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.48 -0.762 . . . . 1.0 111.675 178.293 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.82 -28.82 66.38 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 118.169 -0.92 . . . . 1.0 112.462 171.182 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -74.7 -43.37 55.47 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.887 1.275 . . . . 1.0 111.564 172.396 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.45 -40.76 83.5 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.06 0.944 . . . . 1.0 112.207 179.504 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.59 -34.48 58.55 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.598 0.759 . . . . 1.0 112.889 171.587 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.9 mtt-85 -77.56 -44.65 27.83 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.212 1.005 . . . . 1.0 109.54 177.537 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -51.68 -48.2 63.57 Favored 'General case' 0 C--O 1.217 -0.622 0 C-N-CA 125.008 1.323 . . . . 1.0 111.399 175.279 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 53.8 mt -49.49 -54.65 6.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 125.504 1.522 . . . . 1.0 111.754 176.672 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -60.48 -39.25 86.99 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 122.851 0.46 . . . . 1.0 111.306 177.553 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 85.4 mtp -73.26 -10.08 59.39 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.453 1.501 . . . . 1.0 114.936 174.051 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -105.52 -8.1 18.25 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 127.614 2.366 . . . . 1.0 110.317 177.083 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.476 0.842 0 C-N-CA 124.731 1.212 . . . . 1.0 111.497 -174.639 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.42 0 CA-C-O 118.584 -0.722 . . . . 1.0 112.411 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.5 -30.54 60.85 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 114.042 1.127 . . . . 1.0 114.042 171.048 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.0 -49.99 11.03 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.485 1.114 . . . . 1.0 110.564 177.534 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -58.82 -54.93 41.55 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-O 118.809 -0.615 . . . . 1.0 111.612 176.511 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -46.43 -39.19 10.16 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.54 1.536 . . . . 1.0 113.131 179.217 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.56 -70.78 0.11 Allowed 'General case' 0 C--N 1.343 0.295 0 CA-C-O 118.086 -0.959 . . . . 1.0 110.868 173.03 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.13 -38.78 58.57 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.548 0.739 . . . . 1.0 111.616 178.329 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.73 -50.74 72.79 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.698 1.599 . . . . 1.0 112.736 177.347 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.62 -39.21 57.62 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.312 0.645 . . . . 1.0 111.18 172.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.6 mtt180 -69.48 -49.06 58.3 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 118.165 -0.921 . . . . 1.0 110.027 176.032 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -49.07 -46.07 44.0 Favored 'General case' 0 C--O 1.222 -0.388 0 C-N-CA 127.447 2.299 . . . . 1.0 111.715 178.364 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 68.7 mt -54.59 -58.75 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 C-N-CA 124.804 1.242 . . . . 1.0 111.01 174.179 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -59.77 -35.08 73.89 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 121.896 -0.503 . . . . 1.0 111.936 177.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 14.1 mmm -72.69 -9.38 58.56 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 127.141 2.176 . . . . 1.0 114.657 174.623 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.24 -3.38 16.3 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.369 1.468 . . . . 1.0 110.943 176.539 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.3 m . . . . . 0 N--CA 1.471 0.624 0 C-N-CA 125.514 1.526 . . . . 1.0 111.438 -178.346 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.427 0 N-CA-C 111.739 0.274 . . . . 1.0 111.739 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.83 1.27 10.91 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.08 1.352 . . . . 1.0 114.166 174.176 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.51 -53.8 2.62 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 125.613 1.565 . . . . 1.0 109.864 177.278 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -61.59 -48.77 79.41 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-O 118.269 -0.872 . . . . 1.0 110.672 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -50.56 -37.52 40.08 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.473 0.916 . . . . 1.0 113.473 -179.411 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.64 -72.72 0.12 Allowed 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 117.824 -1.084 . . . . 1.0 111.485 172.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -50.49 -43.2 55.47 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.327 1.051 . . . . 1.0 111.047 -179.625 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.0 tp -51.8 -58.95 4.96 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 127.144 2.178 . . . . 1.0 111.651 173.498 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.71 -36.82 26.65 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.473 1.033 . . . . 1.0 111.844 177.623 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.1 mtp85 -73.5 -46.64 46.73 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.667 0.787 . . . . 1.0 110.379 177.304 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -46.56 -45.9 19.07 Favored 'General case' 0 C--O 1.219 -0.519 0 C-N-CA 126.63 1.972 . . . . 1.0 110.952 175.064 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.1 mm -53.62 -50.74 48.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 125.103 1.361 . . . . 1.0 111.965 177.441 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -59.11 -49.76 76.64 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.431 0.692 . . . . 1.0 110.724 174.601 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -65.03 -12.02 45.8 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 115.263 1.579 . . . . 1.0 115.263 176.057 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 tp -97.46 -12.76 22.3 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 128.181 2.592 . . . . 1.0 110.849 174.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.9 m . . . . . 0 N--CA 1.476 0.872 0 C-N-CA 124.694 1.198 . . . . 1.0 111.698 -176.53 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.424 0 N-CA-C 112.595 0.591 . . . . 1.0 112.595 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.78 -34.42 59.04 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.154 0.982 . . . . 1.0 112.639 175.261 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -51.62 39.32 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.9 1.28 . . . . 1.0 111.991 176.802 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -60.19 -44.02 95.42 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.052 0.941 . . . . 1.0 111.652 175.019 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.65 -40.11 93.74 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.236 -0.915 . . . . 1.0 111.801 175.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.62 -17.06 64.48 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 113.664 0.987 . . . . 1.0 113.664 172.392 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -81.89 -44.99 16.09 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 119.808 1.186 . . . . 1.0 110.941 169.254 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.3 tp -55.41 -40.41 71.41 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.155 0.582 . . . . 1.0 112.542 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 60.6 ttt180 -52.02 -39.6 59.76 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.819 0.847 . . . . 1.0 113.012 171.496 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.2 mtt180 -77.12 -44.87 28.83 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.559 1.144 . . . . 1.0 109.58 179.254 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -51.56 -47.03 63.6 Favored 'General case' 0 C--O 1.218 -0.558 0 C-N-CA 124.633 1.173 . . . . 1.0 110.983 174.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 29.6 mt -48.47 -54.9 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 126.217 1.807 . . . . 1.0 112.448 174.147 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -60.82 -29.98 69.81 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 122.886 0.474 . . . . 1.0 111.739 177.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.2 tpp -85.33 -16.59 39.46 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.378 1.471 . . . . 1.0 114.355 177.611 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 tp -96.73 -14.42 22.02 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 128.735 2.814 . . . . 1.0 110.618 178.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.5 m . . . . . 0 N--CA 1.473 0.713 0 C-N-CA 124.707 1.203 . . . . 1.0 111.074 -177.273 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.467 0.392 0 N-CA-C 112.847 0.684 . . . . 1.0 112.847 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.81 -31.37 27.08 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.472 1.109 . . . . 1.0 112.695 173.421 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.84 -60.75 2.08 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.166 1.386 . . . . 1.0 111.324 176.644 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -54.59 -40.35 68.75 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.922 1.289 . . . . 1.0 113.03 176.655 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.27 -46.0 92.16 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.656 0.783 . . . . 1.0 111.234 175.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.14 -29.29 70.68 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 118.596 -0.716 . . . . 1.0 112.331 173.147 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.31 -54.13 16.13 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.224 1.41 . . . . 1.0 110.856 174.731 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.7 tp -53.67 -40.39 65.87 Favored 'General case' 0 C--N 1.342 0.279 0 CA-C-O 118.735 -0.65 . . . . 1.0 111.414 178.512 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.572 ' HA ' HD12 ' A' ' 28' ' ' ILE . 3.6 ttt180 -46.9 -44.03 19.38 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 119.043 0.838 . . . . 1.0 112.805 171.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.48 -44.35 58.11 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.53 1.132 . . . . 1.0 110.042 178.443 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -51.97 -50.88 60.39 Favored 'General case' 0 C--O 1.218 -0.588 0 C-N-CA 124.704 1.202 . . . . 1.0 111.064 175.302 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.572 HD12 ' HA ' ' A' ' 25' ' ' ARG . 21.3 mt -51.32 -53.17 16.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 126.079 1.752 . . . . 1.0 110.788 -179.311 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -59.03 -40.22 84.35 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.543 0.737 . . . . 1.0 111.35 176.489 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 10.4 mmm -73.43 -8.64 56.72 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.563 1.945 . . . . 1.0 115.269 174.253 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.29 -9.29 15.51 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 127.465 2.306 . . . . 1.0 110.431 177.492 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.3 m . . . . . 0 CA--C 1.543 0.678 0 C-N-CA 124.437 1.095 . . . . 1.0 110.415 -175.458 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.538 0.483 0 N-CA-C 112.612 0.597 . . . . 1.0 112.612 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.19 -34.25 56.17 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.978 1.311 . . . . 1.0 112.8 173.572 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -53.42 26.17 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.788 1.235 . . . . 1.0 111.434 176.131 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -57.22 -48.22 79.37 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 123.827 0.851 . . . . 1.0 111.578 174.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.16 -44.67 83.68 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.826 0.85 . . . . 1.0 111.821 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.91 -56.41 22.33 Favored 'General case' 0 C--N 1.342 0.256 0 CA-C-O 118.057 -0.973 . . . . 1.0 111.475 172.075 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.9 -44.98 64.01 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 119.25 0.932 . . . . 1.0 111.778 176.54 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.9 tt -55.93 -50.05 71.81 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.213 1.405 . . . . 1.0 112.016 177.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.98 -41.68 35.12 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 118.725 0.693 . . . . 1.0 111.809 174.248 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -73.83 -43.86 57.45 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.94 0.896 . . . . 1.0 110.53 178.519 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -52.31 -48.96 65.11 Favored 'General case' 0 C--O 1.219 -0.542 0 C-N-CA 126.051 1.741 . . . . 1.0 110.554 175.722 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 26.8 mt -46.83 -53.67 2.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 125.374 1.469 . . . . 1.0 111.857 176.443 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -60.38 -46.2 90.82 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.29 0.636 . . . . 1.0 110.664 178.06 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 15.6 mmm -66.04 -11.9 51.49 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.24 1.816 . . . . 1.0 115.414 174.393 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.27 -9.99 17.32 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 127.436 2.294 . . . . 1.0 110.575 176.807 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 26.5 m . . . . . 0 CA--C 1.544 0.726 0 C-N-CA 125.063 1.345 . . . . 1.0 111.864 -176.324 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.7 tmm? . . . . . 0 CA--C 1.541 0.632 0 CA-C-O 120.491 0.186 . . . . 1.0 110.965 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.01 7.55 3.16 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.925 1.69 . . . . 1.0 114.503 172.378 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -118.4 -56.05 2.18 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 125.703 1.601 . . . . 1.0 110.175 178.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -63.28 -39.5 94.76 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.136 0.574 . . . . 1.0 111.814 179.196 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.62 -39.59 88.79 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 120.971 -1.081 . . . . 1.0 112.327 179.006 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.34 -26.22 66.41 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 118.338 -0.839 . . . . 1.0 112.623 172.509 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -71.32 -43.64 66.67 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.669 1.588 . . . . 1.0 111.968 173.485 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 24.7 tp -58.39 -45.81 87.6 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.416 0.687 . . . . 1.0 111.087 177.054 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.01 -38.4 17.01 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.861 0.864 . . . . 1.0 112.062 173.717 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.01 -52.41 14.51 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.115 0.966 . . . . 1.0 109.526 177.644 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -47.25 -40.47 16.59 Favored 'General case' 0 C--O 1.223 -0.301 0 C-N-CA 125.009 1.324 . . . . 1.0 112.076 177.261 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 27.5 mt -57.97 -63.08 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 C-N-CA 125.62 1.568 . . . . 1.0 112.374 173.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -58.65 -35.54 72.69 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 117.924 0.329 . . . . 1.0 111.112 178.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 8.1 tpp -67.26 -10.25 48.84 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.695 1.598 . . . . 1.0 113.848 175.509 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.443 ' O ' HD12 ' A' ' 31' ' ' LEU . 0.1 OUTLIER -108.83 0.1 20.13 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.977 1.711 . . . . 1.0 110.786 175.765 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.5 m . . . . . 0 CA--C 1.542 0.672 0 O-C-N 121.384 -0.823 . . . . 1.0 110.513 -174.5 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.384 0 N-CA-C 111.885 0.328 . . . . 1.0 111.885 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.4 -33.07 65.43 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.78 1.232 . . . . 1.0 112.993 172.027 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.51 -57.25 4.97 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.332 1.053 . . . . 1.0 110.671 176.638 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -55.71 -44.47 77.45 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.143 0.977 . . . . 1.0 112.968 175.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.51 -42.2 95.92 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.241 -0.912 . . . . 1.0 112.189 175.584 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.48 -29.39 67.79 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 118.541 -0.742 . . . . 1.0 112.546 171.771 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.83 -44.09 64.46 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.346 1.059 . . . . 1.0 111.495 173.186 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 tp -55.66 -43.38 76.22 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.393 0.677 . . . . 1.0 111.816 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.26 -31.72 21.99 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.536 1.134 . . . . 1.0 113.294 171.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.4 mtp85 -87.9 -40.32 14.06 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.545 1.138 . . . . 1.0 109.791 179.087 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -58.33 -34.86 71.08 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.15 1.38 . . . . 1.0 112.743 175.668 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.9 mt -58.76 -25.99 30.54 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 C-N-CA 124.937 1.295 . . . . 1.0 112.085 171.575 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -86.67 -42.87 13.06 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.074 -1.016 . . . . 1.0 111.189 172.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -19.85 63.89 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 113.532 0.938 . . . . 1.0 113.532 179.243 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.42 HD23 ' O ' ' A' ' 31' ' ' LEU . 9.9 tt -93.23 -7.21 45.78 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.141 1.376 . . . . 1.0 112.084 176.091 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.3 m . . . . . 0 N--CA 1.478 0.959 0 C-N-CA 125.241 1.416 . . . . 1.0 112.388 -175.963 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.537 0.443 0 N-CA-C 112.248 0.462 . . . . 1.0 112.248 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.06 -37.21 52.98 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.615 1.166 . . . . 1.0 112.864 171.775 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.05 -56.8 13.8 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.49 0.716 . . . . 1.0 110.586 175.851 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -56.91 -45.16 82.84 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.403 1.081 . . . . 1.0 113.297 176.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.44 -48.43 80.73 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.3 0.64 . . . . 1.0 111.108 176.079 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.18 -30.66 71.21 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 118.764 -0.636 . . . . 1.0 112.105 174.364 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -68.21 -48.28 65.6 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.514 1.526 . . . . 1.0 112.026 174.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.85 -45.95 71.09 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.123 0.969 . . . . 1.0 110.77 176.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.0 ttt85 -46.99 -44.05 19.84 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 118.511 0.596 . . . . 1.0 111.875 174.159 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.33 -47.56 55.76 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 124.416 1.086 . . . . 1.0 109.538 178.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -48.55 -45.25 37.38 Favored 'General case' 0 C--O 1.222 -0.359 0 C-N-CA 125.747 1.619 . . . . 1.0 111.959 176.634 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 96.3 mt -54.74 -60.14 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 125.337 1.455 . . . . 1.0 111.138 175.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -61.47 -35.03 76.47 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.037 0.535 . . . . 1.0 111.732 178.651 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 8.4 tpp -69.33 -9.1 51.8 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.461 1.905 . . . . 1.0 113.714 174.391 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.448 ' O ' HD12 ' A' ' 31' ' ' LEU . 0.1 OUTLIER -111.52 1.51 16.94 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.764 1.626 . . . . 1.0 110.76 174.213 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 16.3 m . . . . . 0 N--CA 1.472 0.638 0 C-N-CA 124.461 1.104 . . . . 1.0 110.583 -177.163 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.875 0 N-CA-C 109.353 -0.61 . . . . 1.0 109.353 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -74.65 163.32 36.11 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 122.919 2.413 . . . . 1.0 111.174 175.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -167.12 111.75 0.73 Allowed 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.754 1.221 . . . . 1.0 109.071 178.411 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 36.41 75.69 0.5 Allowed Pre-proline 0 N--CA 1.478 0.974 0 C-N-CA 126.502 1.921 . . . . 1.0 113.468 -177.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.88 151.16 62.42 Favored 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 121.752 1.634 . . . . 1.0 110.927 -178.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -148.06 119.25 7.76 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 106.739 -1.578 . . . . 1.0 106.739 178.735 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -44.44 94.62 0.08 OUTLIER Pre-proline 0 CA--C 1.543 0.673 0 C-N-CA 126.673 1.989 . . . . 1.0 111.36 177.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -79.82 168.39 19.33 Favored 'Trans proline' 0 N--CA 1.453 -0.897 0 C-N-CA 121.713 1.609 . . . . 1.0 109.504 -177.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -41.29 -74.03 0.18 Allowed Glycine 0 CA--C 1.533 1.164 0 C-N-CA 125.553 1.549 . . . . 1.0 114.227 -171.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -153.16 59.26 0.78 Allowed 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 122.98 1.372 . . . . 1.0 112.511 -173.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -159.83 113.72 2.25 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 125.128 1.371 . . . . 1.0 108.605 -177.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -50.35 136.61 19.95 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.464 -0.773 . . . . 1.0 109.924 171.342 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 72.7 p -44.65 148.43 0.92 Allowed Pre-proline 0 CA--C 1.539 0.523 0 C-N-CA 125.29 1.436 . . . . 1.0 112.599 -175.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -67.11 -11.94 34.15 Favored 'Trans proline' 0 CA--C 1.541 0.838 0 C-N-CA 121.472 1.448 . . . . 1.0 112.838 -175.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -73.09 -18.12 61.34 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.416 1.086 . . . . 1.0 113.569 169.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.04 -55.76 5.03 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 119.248 0.931 . . . . 1.0 110.763 -176.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -23.22 66.58 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.736 0.814 . . . . 1.0 112.578 175.182 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.79 -38.73 70.31 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.595 0.758 . . . . 1.0 112.346 173.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.06 -56.54 19.78 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.308 1.043 . . . . 1.0 110.932 175.008 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -57.63 -43.28 84.73 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.298 1.039 . . . . 1.0 113.41 176.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.56 -44.27 93.32 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.305 0.642 . . . . 1.0 111.476 175.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.63 -43.24 99.3 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 118.362 -0.828 . . . . 1.0 112.166 171.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -53.48 -46.04 69.84 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.284 1.434 . . . . 1.0 111.437 175.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.73 -44.87 96.1 Favored 'General case' 0 CA--C 1.535 0.386 0 O-C-N 121.564 -0.71 . . . . 1.0 112.551 176.465 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.02 -37.44 45.2 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 118.777 0.717 . . . . 1.0 111.587 173.48 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -70.1 -45.68 66.46 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.4 0.68 . . . . 1.0 109.997 178.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -45.65 -44.02 12.95 Favored 'General case' 0 C--O 1.218 -0.559 0 C-N-CA 124.862 1.265 . . . . 1.0 111.414 175.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.9 mm -54.76 -48.64 72.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 124.778 1.231 . . . . 1.0 112.327 178.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -59.55 -46.87 87.61 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.079 0.551 . . . . 1.0 110.458 174.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.0 mpp? -69.3 -11.04 60.47 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 115.591 1.7 . . . . 1.0 115.591 176.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.1 tp -105.35 -9.75 17.4 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 127.573 2.349 . . . . 1.0 110.576 175.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.3 m 58.46 16.36 4.12 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.574 1.55 . . . . 1.0 112.379 -175.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -159.34 157.63 27.38 Favored Pre-proline 0 N--CA 1.469 0.492 0 C-N-CA 126.252 1.821 . . . . 1.0 111.484 -176.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -73.92 157.96 46.73 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 122.525 2.15 . . . . 1.0 112.1 174.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -105.12 -27.67 11.47 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.825 1.25 . . . . 1.0 112.887 178.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 57.49 -173.35 0.08 Allowed 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.75 1.62 . . . . 1.0 113.625 178.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.542 0 O-C-N 119.297 -2.127 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.064 0 N-CA-C 109.8 -0.445 . . . . 1.0 109.8 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -77.14 -59.95 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 123.035 2.49 . . . . 1.0 111.548 177.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -166.8 65.61 0.09 Allowed 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.914 1.286 . . . . 1.0 110.311 -177.585 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 54.85 76.61 0.5 Allowed Pre-proline 0 CA--C 1.55 0.943 0 C-N-CA 125.58 1.552 . . . . 1.0 112.884 -177.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -69.66 157.26 61.18 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 122.073 1.849 . . . . 1.0 111.998 -176.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -89.45 162.25 15.84 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.05 0.94 . . . . 1.0 111.336 176.131 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -146.0 155.02 51.44 Favored Pre-proline 0 CA--C 1.539 0.52 0 C-N-CA 124.508 1.123 . . . . 1.0 110.079 -178.637 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -70.91 156.53 60.18 Favored 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 122.364 2.043 . . . . 1.0 111.728 178.487 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 132.0 136.47 3.85 Favored Glycine 0 CA--C 1.532 1.137 0 C-N-CA 125.173 1.368 . . . . 1.0 111.714 -178.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -141.01 88.18 2.16 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.487 1.115 . . . . 1.0 109.47 178.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -174.97 92.55 0.07 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.577 1.551 . . . . 1.0 109.259 178.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -161.25 175.86 11.85 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.224 1.01 . . . . 1.0 109.768 173.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.8 p -47.88 149.59 2.28 Favored Pre-proline 0 CA--C 1.543 0.696 0 C-N-CA 125.375 1.47 . . . . 1.0 112.458 174.099 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -69.05 -10.43 29.12 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 122.168 1.912 . . . . 1.0 113.003 -178.473 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -78.68 -23.23 45.76 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.521 1.128 . . . . 1.0 113.369 169.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -85.76 -51.79 6.2 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-N 118.728 0.694 . . . . 1.0 110.147 -177.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.7 tmm? -63.38 -20.78 65.83 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.668 0.618 . . . . 1.0 112.668 -178.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.35 -33.59 43.63 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.987 1.315 . . . . 1.0 113.033 169.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -68.32 -56.56 8.14 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.492 1.117 . . . . 1.0 111.196 175.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -55.21 -49.18 72.61 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 124.112 0.965 . . . . 1.0 112.086 175.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.81 -39.93 72.02 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.277 1.031 . . . . 1.0 111.854 178.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.06 -62.51 1.83 Allowed 'General case' 0 C--N 1.344 0.348 0 CA-C-O 118.0 -1.0 . . . . 1.0 110.754 173.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.34 -48.23 65.6 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 118.775 0.716 . . . . 1.0 110.801 178.369 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.94 -50.66 57.4 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 125.39 1.476 . . . . 1.0 112.432 175.432 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -54.31 -41.34 68.86 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.608 1.095 . . . . 1.0 111.298 177.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.0 mtp180 -69.62 -46.68 65.67 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.964 0.906 . . . . 1.0 110.194 177.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -53.8 -52.02 61.64 Favored 'General case' 0 C--O 1.215 -0.717 0 C-N-CA 126.567 1.947 . . . . 1.0 110.816 177.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.416 HG23 ' HA ' ' A' ' 34' ' ' PRO . 12.2 mt -46.75 -54.42 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 C-N-CA 126.041 1.736 . . . . 1.0 111.568 175.474 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.4 t30 -61.02 -44.99 96.59 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.047 0.539 . . . . 1.0 110.838 179.136 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 7.4 mmm -66.77 -14.69 62.9 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.244 1.818 . . . . 1.0 115.101 173.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.6 tp -99.98 -11.01 20.98 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 127.975 2.51 . . . . 1.0 110.328 177.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.1 m 56.4 23.32 7.26 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.606 1.162 . . . . 1.0 111.901 -175.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.93 91.16 33.67 Favored Pre-proline 0 N--CA 1.471 0.604 0 C-N-CA 124.702 1.201 . . . . 1.0 110.415 -176.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.416 ' HA ' HG23 ' A' ' 28' ' ' ILE . 37.2 Cg_endo -69.6 154.56 68.2 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 122.609 2.206 . . . . 1.0 112.338 177.618 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.69 -26.07 14.48 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.197 0.999 . . . . 1.0 112.932 178.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 48.54 77.2 0.1 Allowed 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 127.085 2.154 . . . . 1.0 113.576 176.009 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.614 0 O-C-N 118.559 -2.588 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.487 ' HB1' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.482 1.139 0 CA-C-O 117.651 -1.166 . . . . 1.0 110.404 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.487 ' HD2' ' HB1' ' A' ' 1' ' ' ALA . 48.7 Cg_endo -73.59 91.72 0.88 Allowed 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 123.792 2.994 . . . . 1.0 110.791 -179.167 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 44.68 80.98 0.04 OUTLIER 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.666 1.986 . . . . 1.0 111.278 -177.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.86 148.96 3.44 Favored Pre-proline 0 CA--C 1.541 0.616 0 C-N-CA 123.481 0.712 . . . . 1.0 111.48 -176.139 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -68.2 -2.5 9.06 Favored 'Trans proline' 0 CA--C 1.538 0.681 0 C-N-CA 122.592 2.195 . . . . 1.0 113.863 -178.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 69.12 112.26 0.05 OUTLIER 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 128.465 2.706 . . . . 1.0 111.427 176.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -143.71 86.66 8.59 Favored Pre-proline 0 CA--C 1.538 0.49 0 O-C-N 121.721 -0.612 . . . . 1.0 110.095 -172.288 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -70.75 -8.87 24.59 Favored 'Trans proline' 0 CA--C 1.541 0.865 0 C-N-CA 122.549 2.166 . . . . 1.0 113.245 176.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 79.96 69.05 1.42 Allowed Glycine 0 C--N 1.34 0.797 0 C-N-CA 124.431 1.015 . . . . 1.0 111.805 178.109 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -141.69 166.49 24.6 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.86 1.664 . . . . 1.0 110.213 -178.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.9 t30 61.72 87.38 0.1 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 126.301 1.841 . . . . 1.0 113.242 175.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 63.76 159.16 0.09 Allowed 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.463 1.505 . . . . 1.0 112.07 -162.381 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.6 p -59.41 151.16 61.17 Favored Pre-proline 0 CA--C 1.542 0.643 0 O-C-N 121.336 -0.852 . . . . 1.0 111.204 178.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -67.55 -12.27 35.05 Favored 'Trans proline' 0 CA--C 1.538 0.705 0 C-N-CA 122.068 1.846 . . . . 1.0 112.929 -177.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -74.69 -19.23 60.34 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.697 1.199 . . . . 1.0 113.233 171.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -80.8 -52.21 7.76 Favored 'General case' 0 C--N 1.343 0.321 0 CA-C-N 119.027 0.83 . . . . 1.0 110.543 -178.253 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -26.13 68.69 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.361 0.664 . . . . 1.0 111.905 178.103 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.19 -37.13 61.69 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.263 1.025 . . . . 1.0 112.275 172.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.31 -55.69 19.62 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.317 1.047 . . . . 1.0 111.29 176.487 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -59.12 -42.32 90.32 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 124.063 0.945 . . . . 1.0 112.576 176.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.36 -42.63 99.01 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.701 -0.625 . . . . 1.0 111.159 176.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.68 -36.39 83.51 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 118.758 -0.639 . . . . 1.0 112.151 172.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.32 -49.33 74.36 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.761 1.224 . . . . 1.0 111.621 174.536 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -50.42 -48.67 56.09 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 124.46 1.104 . . . . 1.0 111.092 176.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.9 ttt180 -47.19 -42.28 19.68 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 119.377 0.99 . . . . 1.0 112.428 174.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.8 mtp180 -74.41 -44.78 50.42 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.991 1.316 . . . . 1.0 110.244 178.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -53.67 -48.45 69.44 Favored 'General case' 0 C--O 1.217 -0.64 0 C-N-CA 125.469 1.508 . . . . 1.0 111.707 176.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.546 HG23 ' O ' ' A' ' 33' ' ' ARG . 95.9 mt -50.0 -55.54 5.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 126.48 1.912 . . . . 1.0 110.446 176.126 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -57.47 -42.29 82.29 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 122.634 0.373 . . . . 1.0 111.337 176.32 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.2 tpp -73.82 -9.49 58.7 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.221 1.408 . . . . 1.0 114.68 176.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tp -102.85 -12.54 17.48 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 128.62 2.768 . . . . 1.0 110.001 178.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.3 m 56.93 24.91 9.92 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.588 1.155 . . . . 1.0 111.72 -177.191 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.546 ' O ' HG23 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -145.91 142.7 18.14 Favored Pre-proline 0 N--CA 1.467 0.394 0 C-N-CA 124.672 1.189 . . . . 1.0 110.426 -174.341 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -70.64 178.41 5.14 Favored 'Trans proline' 0 CA--C 1.539 0.771 0 C-N-CA 123.782 2.988 . . . . 1.0 112.444 178.345 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -63.25 119.38 9.5 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 123.347 0.659 . . . . 1.0 110.104 173.142 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -48.05 120.68 3.66 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.978 1.711 . . . . 1.0 111.654 175.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.564 0 O-C-N 119.704 -1.873 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 117.908 -1.044 . . . . 1.0 109.701 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -73.47 -52.2 0.14 Allowed 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 123.125 2.55 . . . . 1.0 111.827 -179.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.593 HD23 ' H ' ' A' ' 3' ' ' LEU . 2.2 pt? -79.14 130.41 35.46 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.285 0.634 . . . . 1.0 109.929 172.591 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -103.51 158.46 31.78 Favored Pre-proline 0 CA--C 1.545 0.764 0 C-N-CA 123.964 0.906 . . . . 1.0 111.477 175.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -74.24 73.56 3.82 Favored 'Trans proline' 0 CA--C 1.543 0.929 0 C-N-CA 123.843 3.029 . . . . 1.0 112.044 -179.19 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -95.62 112.14 23.92 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.468 1.107 . . . . 1.0 111.766 178.016 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -145.02 61.71 8.35 Favored Pre-proline 0 CA--C 1.549 0.937 0 C-N-CA 125.466 1.506 . . . . 1.0 110.684 176.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -73.24 111.32 3.25 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 122.339 2.026 . . . . 1.0 110.799 177.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.15 83.27 1.52 Allowed Glycine 0 CA--C 1.526 0.754 0 C-N-CA 124.018 0.818 . . . . 1.0 112.336 178.03 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -135.92 140.25 43.9 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.607 1.563 . . . . 1.0 109.129 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -167.26 82.14 0.21 Allowed 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 126.307 1.843 . . . . 1.0 107.307 175.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.64 162.28 15.69 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 121.561 0.696 . . . . 1.0 109.732 171.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 62.0 p -44.75 147.26 1.13 Allowed Pre-proline 0 CA--C 1.544 0.725 0 C-N-CA 125.512 1.525 . . . . 1.0 113.081 175.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -70.55 -1.9 9.86 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 123.186 2.591 . . . . 1.0 113.128 -178.449 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -89.13 -17.26 29.57 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.403 1.481 . . . . 1.0 112.757 169.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -109.78 -49.25 3.11 Favored 'General case' 0 C--N 1.346 0.453 0 C-N-CA 124.53 1.132 . . . . 1.0 111.205 -178.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -62.87 -21.44 65.98 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 112.326 0.491 . . . . 1.0 112.326 176.712 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.88 -31.99 30.41 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.62 1.168 . . . . 1.0 112.477 172.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.74 -58.61 3.18 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.433 1.093 . . . . 1.0 111.86 178.144 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -55.09 -43.63 74.13 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.957 0.903 . . . . 1.0 112.087 175.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.06 -36.59 77.66 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 121.236 -0.915 . . . . 1.0 112.129 175.027 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.41 -13.89 62.61 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.683 0.994 . . . . 1.0 113.683 173.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -82.36 -47.42 12.35 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.224 1.41 . . . . 1.0 110.361 168.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -57.57 -39.93 77.84 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 112.745 0.646 . . . . 1.0 112.745 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -50.02 -43.28 50.68 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.292 0.637 . . . . 1.0 112.117 170.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -73.52 -46.92 44.87 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.879 0.872 . . . . 1.0 109.429 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -50.11 -47.19 54.07 Favored 'General case' 0 C--O 1.221 -0.419 0 C-N-CA 125.101 1.36 . . . . 1.0 110.952 175.655 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.773 HG23 ' HB3' ' A' ' 33' ' ' ARG . 42.5 mt -53.24 -59.48 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 C-N-CA 124.711 1.204 . . . . 1.0 111.411 176.284 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -61.01 -26.41 67.58 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 112.107 0.41 . . . . 1.0 112.107 178.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.7 mtp -82.24 -9.16 59.59 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 126.617 1.967 . . . . 1.0 115.068 173.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.506 ' O ' HD12 ' A' ' 31' ' ' LEU . 0.1 OUTLIER -114.09 -0.09 14.12 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.736 1.614 . . . . 1.0 110.23 175.822 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.9 m 62.55 24.49 14.58 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.784 1.234 . . . . 1.0 110.637 -176.015 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.773 ' HB3' HG23 ' A' ' 28' ' ' ILE . 1.5 tmt_? -43.93 101.48 0.25 Allowed Pre-proline 0 N--CA 1.478 0.944 0 C-N-CA 125.717 1.607 . . . . 1.0 110.566 -168.59 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -77.98 71.12 6.77 Favored 'Trans proline' 0 N--CA 1.455 -0.768 0 C-N-CA 122.918 2.412 . . . . 1.0 108.657 -173.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.72 115.21 3.19 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 125.563 1.545 . . . . 1.0 108.334 177.31 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 57.71 177.25 0.05 Allowed 'General case' 0 CA--C 1.548 0.882 0 CA-C-O 124.173 1.94 . . . . 1.0 113.863 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.714 0 O-C-N 117.633 -3.167 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.538 ' HB3' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.478 0.957 0 CA-C-O 116.953 -1.499 . . . . 1.0 111.704 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.538 ' HD3' ' HB3' ' A' ' 1' ' ' ALA . 36.3 Cg_endo -73.54 -48.01 0.27 Allowed 'Trans proline' 0 C--N 1.354 0.868 0 C-N-CA 122.061 1.84 . . . . 1.0 112.296 -179.249 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.0 mp -89.4 120.66 30.93 Favored 'General case' 0 C--O 1.232 0.138 0 C-N-CA 124.436 1.094 . . . . 1.0 109.132 175.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 53.58 89.15 0.11 Allowed Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 125.977 1.711 . . . . 1.0 111.893 -176.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -71.65 81.07 1.35 Allowed 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 122.725 2.284 . . . . 1.0 110.939 179.061 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -69.58 105.61 2.73 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.328 1.051 . . . . 1.0 110.774 178.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -155.16 90.47 2.97 Favored Pre-proline 0 CA--C 1.543 0.689 0 C-N-CA 124.215 1.006 . . . . 1.0 109.63 -178.283 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -75.21 78.84 2.85 Favored 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 123.26 2.64 . . . . 1.0 109.92 174.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -142.21 -177.8 17.64 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 126.92 2.2 . . . . 1.0 110.775 175.091 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.3 p30 -164.65 171.84 13.89 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 127.39 2.276 . . . . 1.0 108.19 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 23.9 t30 53.55 84.96 0.05 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.531 1.532 . . . . 1.0 113.694 175.113 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -135.87 -179.07 5.43 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.08 0.952 . . . . 1.0 110.578 -179.039 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 47.4 p -47.76 152.54 1.28 Allowed Pre-proline 0 CA--C 1.543 0.696 0 C-N-CA 125.069 1.348 . . . . 1.0 111.907 173.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -74.76 55.57 3.86 Favored 'Trans proline' 0 CA--C 1.544 0.989 0 C-N-CA 123.722 2.948 . . . . 1.0 111.747 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -94.77 -104.5 0.14 Allowed 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 127.104 2.162 . . . . 1.0 109.02 176.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 48.7 tp60 -66.5 -34.99 79.15 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 120.498 -1.377 . . . . 1.0 112.0 -175.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -58.46 -23.02 56.57 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 118.261 -0.876 . . . . 1.0 112.413 174.5 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.79 -31.13 62.36 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 119.62 1.1 . . . . 1.0 112.411 175.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -65.32 0.7 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.664 1.185 . . . . 1.0 111.032 172.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -55.32 -40.92 71.73 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.224 1.01 . . . . 1.0 113.301 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.57 -48.89 79.87 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.818 0.847 . . . . 1.0 111.678 173.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.42 -30.11 71.29 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 118.475 -0.774 . . . . 1.0 112.502 174.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -66.86 -49.15 66.6 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.923 1.289 . . . . 1.0 111.22 171.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.5 tp -53.25 -45.84 68.93 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 123.573 0.749 . . . . 1.0 111.238 178.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.65 -39.1 10.73 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 118.861 0.755 . . . . 1.0 112.441 173.663 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.63 -47.37 22.46 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.583 1.153 . . . . 1.0 109.623 179.074 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -51.83 -38.13 54.6 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.793 1.637 . . . . 1.0 112.82 175.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.537 HG23 ' HB3' ' A' ' 33' ' ' ARG . 89.6 mt -60.8 -54.57 33.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 125.285 1.434 . . . . 1.0 110.69 174.287 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -60.27 -34.05 73.19 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 118.445 0.566 . . . . 1.0 111.415 176.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 23.6 mmm -76.83 -12.9 60.04 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.483 1.913 . . . . 1.0 115.089 175.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.478 HD22 ' HB2' ' A' ' 33' ' ' ARG . 10.1 tt -108.55 -7.17 15.78 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.659 1.584 . . . . 1.0 110.633 175.704 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.6 m 57.68 25.66 12.03 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.968 1.307 . . . . 1.0 110.535 -174.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.537 ' HB3' HG23 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -47.29 101.08 0.25 Allowed Pre-proline 0 N--CA 1.476 0.833 0 C-N-CA 125.609 1.564 . . . . 1.0 109.959 -173.018 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -75.77 147.86 31.67 Favored 'Trans proline' 0 N--CA 1.443 -1.459 0 N-CA-C 108.625 -1.336 . . . . 1.0 108.625 -178.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 32.5 mtt-85 64.08 165.14 0.14 Allowed 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.285 1.834 . . . . 1.0 112.017 -176.078 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -101.14 -61.98 1.3 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.748 1.219 . . . . 1.0 109.169 175.216 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.557 0 O-C-N 118.612 -2.555 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.076 0 CA-C-O 117.646 -1.168 . . . . 1.0 109.908 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -76.88 -21.78 12.18 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 123.17 2.58 . . . . 1.0 113.901 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.15 99.58 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.895 1.278 . . . . 1.0 110.225 173.76 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -54.35 33.12 Favored Pre-proline 0 CA--C 1.544 0.713 0 C-N-CA 126.47 1.908 . . . . 1.0 112.75 174.357 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -71.85 -175.7 1.76 Allowed 'Trans proline' 0 C--N 1.355 0.874 0 C-N-CA 122.152 1.901 . . . . 1.0 111.338 172.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 49.13 32.19 3.96 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 125.408 1.483 . . . . 1.0 113.893 178.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.401 ' CG ' ' HD2' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -94.2 152.5 40.33 Favored Pre-proline 0 CA--C 1.54 0.589 0 C-N-CA 124.47 1.108 . . . . 1.0 111.717 -170.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.401 ' HD2' ' CG ' ' A' ' 7' ' ' TYR . 36.0 Cg_endo -71.75 138.6 32.08 Favored 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 122.201 1.934 . . . . 1.0 110.78 174.344 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.44 -170.31 23.8 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 125.687 1.613 . . . . 1.0 112.472 176.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -122.13 76.02 1.27 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.719 1.207 . . . . 1.0 111.187 -174.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -160.41 89.2 0.82 Allowed 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.642 0.777 . . . . 1.0 111.215 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.97 -178.72 7.44 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.305 0.642 . . . . 1.0 110.387 175.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 37.4 p -50.18 148.82 5.74 Favored Pre-proline 0 CA--C 1.54 0.581 0 C-N-CA 125.236 1.414 . . . . 1.0 112.429 177.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -67.93 -10.47 28.94 Favored 'Trans proline' 0 CA--C 1.537 0.671 0 C-N-CA 122.443 2.095 . . . . 1.0 112.889 -177.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -80.38 -18.58 48.54 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.46 1.104 . . . . 1.0 113.633 169.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -94.46 -48.79 5.97 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 119.081 0.855 . . . . 1.0 110.804 -175.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.47 -24.42 65.24 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 122.879 0.472 . . . . 1.0 111.85 175.409 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.55 -32.4 50.54 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.564 1.146 . . . . 1.0 112.874 174.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.47 -58.12 3.81 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.96 1.304 . . . . 1.0 111.394 175.639 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -57.28 -41.17 79.24 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.637 0.606 . . . . 1.0 112.637 176.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.02 -43.58 95.19 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.809 0.844 . . . . 1.0 112.058 174.162 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.73 -14.82 63.01 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.808 1.04 . . . . 1.0 113.808 171.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -84.01 -42.4 16.23 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.456 1.103 . . . . 1.0 110.901 167.487 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.96 -42.57 76.43 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.086 0.954 . . . . 1.0 112.644 179.604 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.4 ttt180 -49.68 -43.32 47.22 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.618 0.767 . . . . 1.0 112.393 172.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -75.39 -47.28 28.21 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.547 1.139 . . . . 1.0 109.468 -178.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -52.12 -43.27 63.89 Favored 'General case' 0 C--O 1.221 -0.416 0 C-N-CA 125.282 1.433 . . . . 1.0 111.606 176.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 31.7 mt -54.36 -56.89 7.75 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 C-N-CA 125.875 1.67 . . . . 1.0 112.071 174.036 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -58.59 -39.9 81.66 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.067 0.547 . . . . 1.0 110.659 177.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 79.1 mtp -70.31 -8.6 51.68 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.716 1.606 . . . . 1.0 115.27 173.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.27 -0.97 16.24 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.247 1.419 . . . . 1.0 111.694 176.273 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.7 m 54.4 25.9 6.5 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.493 1.517 . . . . 1.0 111.803 -177.002 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -126.62 83.25 65.33 Favored Pre-proline 0 CA--C 1.537 0.454 0 C-N-CA 124.927 1.291 . . . . 1.0 110.937 -173.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -65.12 145.7 85.25 Favored 'Trans proline' 0 N--CA 1.455 -0.751 0 C-N-CA 122.359 2.039 . . . . 1.0 111.186 -178.259 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.41 127.71 32.45 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 108.849 -0.797 . . . . 1.0 108.849 175.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 58.9 t80 53.35 83.3 0.07 Allowed 'General case' 0 CA--C 1.547 0.829 0 CA-C-O 123.99 1.852 . . . . 1.0 112.445 178.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.556 0 O-C-N 117.734 -3.104 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.971 0 N-CA-C 109.181 -0.674 . . . . 1.0 109.181 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -72.2 159.03 50.77 Favored 'Trans proline' 0 CA--C 1.536 0.594 0 C-N-CA 122.665 2.244 . . . . 1.0 111.138 176.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.28 111.31 7.01 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.011 0.924 . . . . 1.0 110.603 -177.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -143.58 77.71 15.04 Favored Pre-proline 0 CA--C 1.545 0.77 0 C-N-CA 125.171 1.388 . . . . 1.0 110.035 -178.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -74.87 137.86 22.6 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 123.191 2.594 . . . . 1.0 110.179 176.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 52.79 89.05 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.347 1.459 . . . . 1.0 112.291 -176.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -116.5 74.28 6.07 Favored Pre-proline 0 CA--C 1.55 0.974 0 C-N-CA 125.619 1.568 . . . . 1.0 111.048 -176.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -73.17 111.61 3.32 Favored 'Trans proline' 0 CA--C 1.537 0.65 0 C-N-CA 122.37 2.047 . . . . 1.0 111.079 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 121.19 112.53 2.25 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 125.523 1.535 . . . . 1.0 111.719 -178.16 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -99.66 95.87 7.25 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.912 0.885 . . . . 1.0 110.494 177.493 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 27.9 p-10 -168.0 75.54 0.13 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.512 1.125 . . . . 1.0 111.625 -176.001 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -124.32 164.68 19.09 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.305 0.574 . . . . 1.0 110.89 176.127 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 42.9 p -53.46 150.57 12.13 Favored Pre-proline 0 CA--C 1.54 0.571 0 C-N-CA 124.696 1.198 . . . . 1.0 111.197 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -68.37 -8.7 23.76 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 121.9 1.733 . . . . 1.0 112.798 -177.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -80.91 -22.4 39.76 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.587 1.555 . . . . 1.0 113.17 170.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -76.49 -55.01 5.92 Favored 'General case' 0 C--N 1.345 0.392 0 CA-C-N 119.177 0.899 . . . . 1.0 109.959 -176.341 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.5 -24.09 67.5 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.999 0.92 . . . . 1.0 112.253 176.361 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.33 -32.26 48.2 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.851 0.86 . . . . 1.0 112.517 174.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -62.83 1.41 Allowed 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.003 1.321 . . . . 1.0 111.226 177.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -52.45 -37.11 56.14 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.155 0.982 . . . . 1.0 112.899 176.558 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.1 -48.05 83.49 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.439 1.095 . . . . 1.0 112.082 173.186 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.24 -27.05 68.73 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.594 0.757 . . . . 1.0 112.646 174.159 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -74.58 -40.84 61.38 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.807 1.643 . . . . 1.0 111.64 172.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.62 -46.57 83.96 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 124.008 0.923 . . . . 1.0 111.851 178.314 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -47.75 -38.95 16.55 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 118.765 0.711 . . . . 1.0 112.471 172.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -76.74 -46.85 23.73 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.695 1.198 . . . . 1.0 109.943 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -52.77 -46.29 67.5 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 125.113 1.365 . . . . 1.0 111.709 176.344 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.558 HG23 ' HB3' ' A' ' 33' ' ' ARG . 97.0 mt -53.68 -53.38 26.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 125.574 1.55 . . . . 1.0 111.336 177.428 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -57.93 -47.82 81.72 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.756 0.822 . . . . 1.0 110.482 176.209 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 83.7 mtp -64.89 -6.5 8.45 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 115.181 1.549 . . . . 1.0 115.181 174.014 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.51 -4.59 17.12 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 127.492 2.317 . . . . 1.0 110.229 173.665 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.4 m 55.52 26.13 8.68 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.859 1.264 . . . . 1.0 111.149 -174.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.558 ' HB3' HG23 ' A' ' 28' ' ' ILE . 1.1 ttt85 -45.15 100.46 0.23 Allowed Pre-proline 0 N--CA 1.476 0.827 0 C-N-CA 126.03 1.732 . . . . 1.0 111.946 -168.139 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -77.37 81.14 2.72 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 122.514 2.143 . . . . 1.0 111.565 -169.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -94.28 -24.15 17.56 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 123.944 0.898 . . . . 1.0 113.103 179.488 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 54.8 p90 -127.18 160.06 32.37 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 126.259 1.824 . . . . 1.0 110.537 -175.133 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.667 0 O-C-N 119.444 -2.035 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.574 ' HB3' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.478 0.967 0 CA-C-O 117.322 -1.323 . . . . 1.0 111.675 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.574 ' HD3' ' HB3' ' A' ' 1' ' ' ALA . 30.4 Cg_endo -73.2 -41.17 1.37 Allowed 'Trans proline' 0 C--N 1.354 0.847 0 C-N-CA 121.744 1.629 . . . . 1.0 112.222 -179.442 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -100.44 107.83 19.67 Favored 'General case' 0 C--O 1.232 0.133 0 C-N-CA 124.739 1.216 . . . . 1.0 109.326 179.569 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 66.38 152.52 0.12 Allowed Pre-proline 0 CA--C 1.551 0.997 0 C-N-CA 126.462 1.905 . . . . 1.0 112.576 -176.443 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -71.61 143.29 41.94 Favored 'Trans proline' 0 N--CA 1.456 -0.731 0 C-N-CA 121.603 1.535 . . . . 1.0 110.754 176.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -94.87 87.58 5.03 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.473 1.109 . . . . 1.0 110.326 176.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 28.6 p90 -114.15 87.34 13.03 Favored Pre-proline 0 CA--C 1.545 0.764 0 C-N-CA 124.164 0.986 . . . . 1.0 109.849 -179.004 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -73.17 -2.21 11.72 Favored 'Trans proline' 0 CA--C 1.545 1.068 0 C-N-CA 122.065 1.844 . . . . 1.0 113.082 175.282 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -174.19 -110.77 0.26 Allowed Glycine 0 CA--C 1.53 0.992 0 C-N-CA 125.771 1.653 . . . . 1.0 110.834 175.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -127.86 81.77 2.04 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 126.56 1.944 . . . . 1.0 111.503 -172.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -169.23 79.33 0.12 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.129 0.972 . . . . 1.0 111.345 -175.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.83 80.96 8.32 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 108.371 -0.974 . . . . 1.0 108.371 171.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 41.3 p -48.64 152.66 1.62 Allowed Pre-proline 0 CA--C 1.541 0.61 0 C-N-CA 125.029 1.332 . . . . 1.0 111.212 174.079 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -74.76 53.67 3.3 Favored 'Trans proline' 0 CA--C 1.545 1.068 0 C-N-CA 123.365 2.71 . . . . 1.0 111.981 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.04 -19.23 18.88 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.255 1.822 . . . . 1.0 112.429 175.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -125.26 -48.94 1.7 Allowed 'General case' 0 C--N 1.342 0.26 0 C-N-CA 125.476 1.511 . . . . 1.0 111.196 -179.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -25.38 62.23 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 121.884 -0.51 . . . . 1.0 112.32 176.187 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.6 -30.01 40.36 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.104 0.962 . . . . 1.0 113.223 173.312 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -58.23 3.44 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.314 1.046 . . . . 1.0 111.489 174.567 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -56.78 -41.62 78.0 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.188 0.995 . . . . 1.0 112.757 177.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.77 -46.34 90.83 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.397 1.079 . . . . 1.0 111.732 174.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.69 -21.36 62.79 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 118.332 -0.842 . . . . 1.0 112.734 172.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -76.29 -48.69 19.24 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.296 1.438 . . . . 1.0 111.633 172.227 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.61 -40.91 69.37 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.361 0.664 . . . . 1.0 112.365 178.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.14 -43.0 41.29 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.571 0.748 . . . . 1.0 112.092 172.103 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.71 -46.34 31.64 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.799 1.24 . . . . 1.0 109.481 -179.096 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -52.01 -42.44 63.01 Favored 'General case' 0 C--O 1.218 -0.555 0 C-N-CA 124.976 1.31 . . . . 1.0 111.255 176.305 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 26.0 mt -55.19 -56.23 12.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 C-N-CA 125.625 1.57 . . . . 1.0 112.222 175.086 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -58.65 -37.26 75.57 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 122.855 0.462 . . . . 1.0 110.553 176.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.4 mmm -73.62 -7.89 53.77 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.948 1.699 . . . . 1.0 115.002 174.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.28 -0.46 13.87 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.58 1.552 . . . . 1.0 111.632 177.728 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.7 m 55.07 22.83 4.74 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.764 1.626 . . . . 1.0 111.723 -178.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.8 ttp180 -124.87 83.25 59.81 Favored Pre-proline 0 C--O 1.238 0.484 0 C-N-CA 125.038 1.335 . . . . 1.0 110.591 -173.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -62.68 161.84 27.01 Favored 'Trans proline' 0 N--CA 1.451 -0.971 0 C-N-CA 122.445 2.097 . . . . 1.0 111.375 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.9 ptt-85 -56.78 126.11 25.43 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.612 0.765 . . . . 1.0 110.028 174.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -65.14 104.54 0.92 Allowed 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 122.384 1.088 . . . . 1.0 111.401 -178.102 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.638 0 O-C-N 118.919 -2.363 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.574 ' HB3' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.478 0.967 0 CA-C-O 117.322 -1.323 . . . . 1.0 111.675 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.574 ' HD3' ' HB3' ' A' ' 1' ' ' ALA . 30.4 Cg_endo -73.2 -41.17 1.37 Allowed 'Trans proline' 0 C--N 1.354 0.847 0 C-N-CA 121.744 1.629 . . . . 1.0 112.222 -179.442 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -100.44 107.83 19.67 Favored 'General case' 0 C--O 1.232 0.133 0 C-N-CA 124.739 1.216 . . . . 1.0 109.326 179.569 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 66.38 152.52 0.12 Allowed Pre-proline 0 CA--C 1.551 0.997 0 C-N-CA 126.462 1.905 . . . . 1.0 112.576 -176.443 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -71.61 143.29 41.94 Favored 'Trans proline' 0 N--CA 1.456 -0.731 0 C-N-CA 121.603 1.535 . . . . 1.0 110.754 176.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -94.87 87.58 5.03 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.473 1.109 . . . . 1.0 110.326 176.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 28.6 p90 -114.15 87.34 13.03 Favored Pre-proline 0 CA--C 1.545 0.764 0 C-N-CA 124.164 0.986 . . . . 1.0 109.849 -179.004 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -73.17 -2.21 11.72 Favored 'Trans proline' 0 CA--C 1.545 1.068 0 C-N-CA 122.065 1.844 . . . . 1.0 113.082 175.282 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -174.19 -110.77 0.26 Allowed Glycine 0 CA--C 1.53 0.992 0 C-N-CA 125.771 1.653 . . . . 1.0 110.834 175.399 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -127.86 81.77 2.04 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 126.56 1.944 . . . . 1.0 111.503 -172.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -169.23 79.33 0.12 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.129 0.972 . . . . 1.0 111.345 -175.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.83 80.96 8.32 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 108.371 -0.974 . . . . 1.0 108.371 171.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 41.3 p -48.64 152.66 1.62 Allowed Pre-proline 0 CA--C 1.541 0.61 0 C-N-CA 125.029 1.332 . . . . 1.0 111.212 174.079 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -74.76 53.67 3.3 Favored 'Trans proline' 0 CA--C 1.545 1.068 0 C-N-CA 123.365 2.71 . . . . 1.0 111.981 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.04 -19.23 18.88 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.255 1.822 . . . . 1.0 112.429 175.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -125.26 -48.94 1.7 Allowed 'General case' 0 C--N 1.342 0.26 0 C-N-CA 125.476 1.511 . . . . 1.0 111.196 -179.213 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -25.38 62.23 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 121.884 -0.51 . . . . 1.0 112.32 176.187 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.6 -30.01 40.36 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.104 0.962 . . . . 1.0 113.223 173.312 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -58.23 3.44 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.314 1.046 . . . . 1.0 111.489 174.567 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -56.78 -41.62 78.0 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.188 0.995 . . . . 1.0 112.757 177.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.77 -46.34 90.83 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.397 1.079 . . . . 1.0 111.732 174.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.69 -21.36 62.79 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 118.332 -0.842 . . . . 1.0 112.734 172.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -76.29 -48.69 19.24 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.296 1.438 . . . . 1.0 111.633 172.227 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.61 -40.91 69.37 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.361 0.664 . . . . 1.0 112.365 178.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.14 -43.0 41.29 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.571 0.748 . . . . 1.0 112.092 172.103 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.71 -46.34 31.64 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.799 1.24 . . . . 1.0 109.481 -179.096 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -52.01 -42.44 63.01 Favored 'General case' 0 C--O 1.218 -0.555 0 C-N-CA 124.976 1.31 . . . . 1.0 111.255 176.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 26.0 mt -55.19 -56.23 12.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 C-N-CA 125.625 1.57 . . . . 1.0 112.222 175.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -58.65 -37.26 75.57 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 122.855 0.462 . . . . 1.0 110.553 176.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.4 mmm -73.62 -7.89 53.77 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.948 1.699 . . . . 1.0 115.002 174.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.28 -0.46 13.87 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.58 1.552 . . . . 1.0 111.632 177.728 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.7 m 55.07 22.83 4.74 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.764 1.626 . . . . 1.0 111.723 -178.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.8 ttp180 -124.87 83.25 59.81 Favored Pre-proline 0 C--O 1.238 0.484 0 C-N-CA 125.038 1.335 . . . . 1.0 110.591 -173.291 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -62.68 161.84 27.01 Favored 'Trans proline' 0 N--CA 1.451 -0.971 0 C-N-CA 122.445 2.097 . . . . 1.0 111.375 179.558 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.9 ptt-85 -56.78 126.11 25.43 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.612 0.765 . . . . 1.0 110.028 174.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -65.14 104.54 0.92 Allowed 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 122.384 1.088 . . . . 1.0 111.401 -178.102 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.638 0 O-C-N 118.919 -2.363 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.554 ' HB3' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.478 0.941 0 CA-C-O 117.053 -1.451 . . . . 1.0 112.012 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.554 ' HD3' ' HB3' ' A' ' 1' ' ' ALA . 36.8 Cg_endo -73.16 -40.36 1.73 Allowed 'Trans proline' 0 C--N 1.355 0.888 0 CA-C-N 121.559 1.592 . . . . 1.0 112.331 -178.379 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 tt -101.56 107.2 18.41 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 124.751 1.22 . . . . 1.0 109.341 179.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 66.73 151.95 0.12 Allowed Pre-proline 0 CA--C 1.552 1.044 0 C-N-CA 126.877 2.071 . . . . 1.0 112.571 -176.306 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -71.64 142.54 40.17 Favored 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 121.594 1.529 . . . . 1.0 110.87 177.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -93.26 87.76 5.77 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.095 0.958 . . . . 1.0 110.604 176.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 29.5 p90 -114.1 87.47 13.15 Favored Pre-proline 0 CA--C 1.546 0.804 0 C-N-CA 124.258 1.023 . . . . 1.0 110.265 -179.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -73.46 -2.65 12.45 Favored 'Trans proline' 0 CA--C 1.546 1.101 0 C-N-CA 122.27 1.98 . . . . 1.0 113.141 174.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -173.73 -110.9 0.26 Allowed Glycine 0 CA--C 1.53 0.973 0 C-N-CA 125.797 1.665 . . . . 1.0 110.869 174.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -127.08 78.13 1.79 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.657 1.983 . . . . 1.0 111.309 -171.747 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -165.6 75.73 0.23 Allowed 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.185 0.994 . . . . 1.0 112.343 -175.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.91 82.89 7.39 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.112 -0.992 . . . . 1.0 109.293 170.428 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 45.8 p -50.95 153.48 3.01 Favored Pre-proline 0 CA--C 1.542 0.638 0 C-N-CA 125.001 1.32 . . . . 1.0 111.336 174.041 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -75.26 53.76 3.55 Favored 'Trans proline' 0 CA--C 1.545 1.075 0 C-N-CA 123.175 2.583 . . . . 1.0 111.974 179.233 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.62 -20.09 18.56 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.125 1.77 . . . . 1.0 112.622 175.195 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -124.37 -48.96 1.81 Allowed 'General case' 0 C--N 1.343 0.285 0 C-N-CA 125.646 1.578 . . . . 1.0 111.213 -179.286 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.5 -25.14 62.05 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 121.802 -0.561 . . . . 1.0 112.357 176.426 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.6 -30.88 44.61 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.102 0.961 . . . . 1.0 113.324 172.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.98 -57.18 4.23 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.168 0.987 . . . . 1.0 111.375 174.445 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -57.82 -41.73 82.85 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.957 0.903 . . . . 1.0 112.811 177.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.64 -46.14 91.44 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.548 1.139 . . . . 1.0 111.793 174.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.05 -22.59 64.72 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 118.15 -0.929 . . . . 1.0 112.704 172.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -74.72 -48.75 24.1 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.918 1.287 . . . . 1.0 111.78 171.244 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.44 -40.72 68.62 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.332 0.653 . . . . 1.0 112.483 179.083 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.61 -42.67 45.43 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.664 0.786 . . . . 1.0 112.232 171.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.05 -45.94 31.7 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.564 1.145 . . . . 1.0 109.498 -179.236 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -52.14 -42.91 63.74 Favored 'General case' 0 C--O 1.219 -0.535 0 C-N-CA 125.031 1.332 . . . . 1.0 111.315 175.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 24.2 mt -54.31 -55.77 13.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 125.613 1.565 . . . . 1.0 112.26 174.628 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -59.19 -39.46 82.64 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.08 0.552 . . . . 1.0 110.44 177.44 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.7 mmm -71.13 -9.1 57.5 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.985 1.714 . . . . 1.0 115.201 174.329 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.95 -0.14 14.9 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.615 1.566 . . . . 1.0 111.845 177.494 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.7 m 55.03 22.75 4.64 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.965 1.706 . . . . 1.0 112.016 -178.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.5 ttp180 -125.18 83.55 60.6 Favored Pre-proline 0 C--O 1.238 0.479 0 C-N-CA 124.941 1.296 . . . . 1.0 110.711 -172.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -62.97 162.24 26.54 Favored 'Trans proline' 0 N--CA 1.453 -0.898 0 C-N-CA 122.502 2.135 . . . . 1.0 111.726 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.3 ptt-85 -57.05 126.1 25.65 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.931 0.892 . . . . 1.0 110.179 175.103 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -66.27 104.2 1.15 Allowed 'General case' 0 CA--C 1.54 0.566 0 CA-C-O 122.319 1.057 . . . . 1.0 111.573 -176.041 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.635 0 O-C-N 118.902 -2.374 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.461 ' HB3' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.479 1.01 0 CA-C-O 116.43 -1.748 . . . . 1.0 112.92 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.461 ' HD3' ' HB3' ' A' ' 1' ' ' ALA . 57.1 Cg_endo -74.22 45.76 1.24 Allowed 'Trans proline' 0 CA--C 1.55 1.303 0 C-N-CA 123.884 3.056 . . . . 1.0 114.147 179.608 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -159.16 168.55 26.28 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 127.202 2.201 . . . . 1.0 110.757 -177.398 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -164.6 78.59 1.41 Allowed Pre-proline 0 CA--C 1.548 0.867 0 C-N-CA 124.095 0.958 . . . . 1.0 109.307 171.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -71.98 -3.27 12.91 Favored 'Trans proline' 0 CA--C 1.542 0.886 0 C-N-CA 122.536 2.157 . . . . 1.0 113.69 178.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 55.74 169.48 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 128.098 2.559 . . . . 1.0 113.563 -169.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -157.34 87.25 2.65 Favored Pre-proline 0 CA--C 1.542 0.641 0 O-C-N 121.326 -0.859 . . . . 1.0 109.975 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -73.57 133.85 19.5 Favored 'Trans proline' 0 CA--C 1.537 0.668 0 C-N-CA 122.146 1.897 . . . . 1.0 111.199 176.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.72 159.38 19.49 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 125.555 1.55 . . . . 1.0 113.226 -178.586 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -105.19 83.71 2.01 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.097 1.359 . . . . 1.0 109.414 -176.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -168.21 96.99 0.42 Allowed 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.567 1.147 . . . . 1.0 110.351 178.205 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -154.38 173.47 16.17 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 123.119 0.568 . . . . 1.0 109.976 171.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 38.0 p -53.16 151.09 9.78 Favored Pre-proline 0 CA--C 1.542 0.646 0 C-N-CA 125.013 1.325 . . . . 1.0 111.674 175.08 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -68.61 -10.66 29.71 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 122.181 1.921 . . . . 1.0 112.751 -177.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -81.36 -18.74 44.56 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.843 1.257 . . . . 1.0 113.283 171.203 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -90.29 -54.74 3.88 Favored 'General case' 0 C--N 1.344 0.336 0 CA-C-N 118.801 0.728 . . . . 1.0 110.435 -178.613 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -22.04 66.39 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.712 0.634 . . . . 1.0 112.712 178.292 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.03 -34.22 63.33 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.433 1.093 . . . . 1.0 112.788 173.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -54.57 23.47 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.3 1.04 . . . . 1.0 110.984 175.586 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -58.19 -44.56 88.11 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.292 1.037 . . . . 1.0 112.685 175.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.34 -44.73 92.62 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.677 0.791 . . . . 1.0 112.022 175.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.85 -40.84 85.48 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 118.66 -0.686 . . . . 1.0 111.591 172.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -59.57 -42.7 93.08 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.836 0.744 . . . . 1.0 112.13 173.222 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.67 -47.01 80.76 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.363 1.065 . . . . 1.0 112.092 178.205 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -49.96 -37.42 32.17 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 118.823 0.738 . . . . 1.0 112.279 173.431 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.5 mtm180 -77.0 -49.28 15.77 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.117 0.967 . . . . 1.0 109.999 179.017 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -49.92 -40.79 44.5 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.519 1.528 . . . . 1.0 111.044 174.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.672 HG23 ' HB3' ' A' ' 33' ' ' ARG . 34.7 mt -55.57 -59.7 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 C-N-CA 126.128 1.771 . . . . 1.0 112.125 174.024 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -60.27 -27.94 67.67 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 118.161 0.437 . . . . 1.0 111.283 177.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 9.2 tpp -81.21 -12.67 59.1 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.472 1.509 . . . . 1.0 114.659 175.692 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -113.51 -1.03 14.22 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.708 1.603 . . . . 1.0 111.423 178.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 30.3 m 64.3 28.38 13.81 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.432 1.893 . . . . 1.0 111.492 -175.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.672 ' HB3' HG23 ' A' ' 28' ' ' ILE . 0.5 OUTLIER -49.58 99.16 0.21 Allowed Pre-proline 0 N--CA 1.482 1.147 0 C-N-CA 125.263 1.425 . . . . 1.0 111.961 -167.94 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -72.41 125.01 10.34 Favored 'Trans proline' 0 N--CA 1.448 -1.194 0 C-N-CA 121.575 1.517 . . . . 1.0 108.578 -173.3 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.1 ttp-105 -125.36 136.76 53.78 Favored 'General case' 0 CA--C 1.522 -0.127 0 C-N-CA 124.251 1.02 . . . . 1.0 109.152 -179.351 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 60.2 178.68 0.09 Allowed 'General case' 0 CA--C 1.547 0.843 0 CA-C-O 122.806 1.289 . . . . 1.0 112.994 -178.31 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.68 0 O-C-N 118.65 -2.531 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.585 ' HB1' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.479 1.008 0 CA-C-O 117.211 -1.376 . . . . 1.0 109.26 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.585 ' HD2' ' HB1' ' A' ' 1' ' ' ALA . 21.6 Cg_endo -68.87 -42.15 4.76 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.257 1.972 . . . . 1.0 111.581 -179.335 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.2 mm? 58.03 178.35 0.06 Allowed 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.547 1.539 . . . . 1.0 112.098 -172.318 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -126.83 162.89 44.66 Favored Pre-proline 0 CA--C 1.542 0.667 0 C-N-CA 123.364 0.666 . . . . 1.0 111.804 177.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -76.72 15.79 1.03 Allowed 'Trans proline' 0 CA--C 1.54 0.816 0 C-N-CA 124.483 3.455 . . . . 1.0 112.485 174.008 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.57 -179.25 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 122.514 1.149 . . . . 1.0 112.64 169.218 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -48.13 145.28 5.24 Favored Pre-proline 0 CA--C 1.547 0.833 0 C-N-CA 123.732 0.813 . . . . 1.0 113.159 177.729 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -69.77 160.81 48.31 Favored 'Trans proline' 0 N--CA 1.456 -0.693 0 C-N-CA 122.019 1.812 . . . . 1.0 111.182 178.254 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 146.02 58.7 0.02 OUTLIER Glycine 0 CA--C 1.525 0.682 0 C-N-CA 122.849 0.261 . . . . 1.0 113.021 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.2 p30 -164.07 173.67 12.23 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.989 1.716 . . . . 1.0 110.216 -178.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -153.79 81.64 1.16 Allowed 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.429 1.492 . . . . 1.0 107.617 171.261 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.89 146.4 28.89 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 109.022 -0.732 . . . . 1.0 109.022 169.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.4 p -50.47 155.04 1.94 Allowed Pre-proline 0 CA--C 1.542 0.657 0 C-N-CA 125.011 1.324 . . . . 1.0 111.717 176.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -74.32 50.43 2.28 Favored 'Trans proline' 0 CA--C 1.547 1.127 0 C-N-CA 123.458 2.772 . . . . 1.0 112.344 -179.379 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.82 -22.12 17.68 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.584 1.953 . . . . 1.0 112.451 175.026 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -124.9 -47.55 1.8 Allowed 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 125.18 1.392 . . . . 1.0 110.653 -178.431 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -21.82 61.12 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 113.147 0.795 . . . . 1.0 113.147 174.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.58 -29.04 35.51 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.896 0.878 . . . . 1.0 113.08 172.523 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -73.41 -59.26 2.79 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.856 1.263 . . . . 1.0 111.298 174.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -56.3 -43.29 78.77 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.075 0.95 . . . . 1.0 113.104 176.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.56 -41.68 99.06 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.48 -0.762 . . . . 1.0 111.675 178.293 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.82 -28.82 66.38 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 118.169 -0.92 . . . . 1.0 112.462 171.182 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -74.7 -43.37 55.47 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.887 1.275 . . . . 1.0 111.564 172.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.45 -40.76 83.5 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.06 0.944 . . . . 1.0 112.207 179.504 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.59 -34.48 58.55 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.598 0.759 . . . . 1.0 112.889 171.587 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.9 mtt-85 -77.56 -44.65 27.83 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.212 1.005 . . . . 1.0 109.54 177.537 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -51.68 -48.2 63.57 Favored 'General case' 0 C--O 1.217 -0.622 0 C-N-CA 125.008 1.323 . . . . 1.0 111.399 175.279 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 53.8 mt -49.49 -54.65 6.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 125.504 1.522 . . . . 1.0 111.754 176.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -60.48 -39.25 86.99 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 122.851 0.46 . . . . 1.0 111.306 177.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 85.4 mtp -73.26 -10.08 59.39 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.453 1.501 . . . . 1.0 114.936 174.051 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -105.52 -8.1 18.25 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 127.614 2.366 . . . . 1.0 110.317 177.083 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.7 m 57.56 20.98 6.65 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.731 1.212 . . . . 1.0 111.497 -174.639 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.09 149.98 17.25 Favored Pre-proline 0 C--N 1.346 0.423 0 C-N-CA 124.805 1.242 . . . . 1.0 111.895 -178.113 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -73.49 179.5 5.49 Favored 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 123.445 2.763 . . . . 1.0 112.285 174.406 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -154.83 86.15 1.12 Allowed 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.7 0.8 . . . . 1.0 110.908 178.455 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 61.27 84.0 0.14 Allowed 'General case' 0 CA--C 1.546 0.807 0 CA-C-O 123.801 1.763 . . . . 1.0 112.884 175.415 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.7 0 O-C-N 117.7 -3.125 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.082 0 CA-C-O 117.528 -1.225 . . . . 1.0 109.865 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -72.88 -89.38 0.0 OUTLIER 'Trans proline' 0 CA--C 1.537 0.654 0 C-N-CA 123.25 2.633 . . . . 1.0 110.795 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -162.26 131.62 4.42 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 126.518 1.927 . . . . 1.0 107.39 176.28 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -146.6 157.9 47.29 Favored Pre-proline 0 CA--C 1.539 0.526 0 C-N-CA 123.593 0.757 . . . . 1.0 109.785 175.199 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -75.75 0.7 8.9 Favored 'Trans proline' 0 CA--C 1.542 0.884 0 C-N-CA 123.093 2.529 . . . . 1.0 113.855 173.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 63.99 89.17 0.09 Allowed 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 127.341 2.256 . . . . 1.0 113.145 178.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -142.91 74.85 18.05 Favored Pre-proline 0 CA--C 1.542 0.64 0 CA-C-N 115.775 -0.648 . . . . 1.0 111.383 -172.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -72.04 143.16 39.85 Favored 'Trans proline' 0 N--CA 1.456 -0.688 0 C-N-CA 122.038 1.825 . . . . 1.0 110.878 178.257 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 156.96 -170.53 34.3 Favored Glycine 0 CA--C 1.525 0.705 0 C-N-CA 124.784 1.183 . . . . 1.0 110.381 -174.418 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -164.57 80.8 0.38 Allowed 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.579 0.751 . . . . 1.0 110.525 178.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -168.68 101.19 0.4 Allowed 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.421 -0.8 . . . . 1.0 110.282 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -162.73 -174.89 4.15 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.443 0.697 . . . . 1.0 109.7 177.292 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.0 p -42.57 150.49 0.42 Allowed Pre-proline 0 CA--C 1.541 0.631 0 C-N-CA 126.462 1.905 . . . . 1.0 112.989 172.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -66.83 -6.61 16.13 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.694 2.262 . . . . 1.0 113.466 -177.275 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -57.71 -18.85 23.29 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 127.121 2.168 . . . . 1.0 112.746 176.312 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -125.14 -37.79 2.38 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 124.937 1.295 . . . . 1.0 112.271 175.113 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.96 -28.93 59.22 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 118.584 -0.722 . . . . 1.0 112.411 175.018 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.5 -30.54 60.85 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 114.042 1.127 . . . . 1.0 114.042 171.048 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.0 -49.99 11.03 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.485 1.114 . . . . 1.0 110.564 177.534 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -58.82 -54.93 41.55 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-O 118.809 -0.615 . . . . 1.0 111.612 176.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -46.43 -39.19 10.16 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.54 1.536 . . . . 1.0 113.131 179.217 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.56 -70.78 0.11 Allowed 'General case' 0 C--N 1.343 0.295 0 CA-C-O 118.086 -0.959 . . . . 1.0 110.868 173.03 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.13 -38.78 58.57 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.548 0.739 . . . . 1.0 111.616 178.329 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.73 -50.74 72.79 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.698 1.599 . . . . 1.0 112.736 177.347 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.62 -39.21 57.62 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.312 0.645 . . . . 1.0 111.18 172.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.6 mtt180 -69.48 -49.06 58.3 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 118.165 -0.921 . . . . 1.0 110.027 176.032 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -49.07 -46.07 44.0 Favored 'General case' 0 C--O 1.222 -0.388 0 C-N-CA 127.447 2.299 . . . . 1.0 111.715 178.364 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 68.7 mt -54.59 -58.75 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 C-N-CA 124.804 1.242 . . . . 1.0 111.01 174.179 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -59.77 -35.08 73.89 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 121.896 -0.503 . . . . 1.0 111.936 177.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 14.1 mmm -72.69 -9.38 58.56 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 127.141 2.176 . . . . 1.0 114.657 174.623 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.24 -3.38 16.3 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.369 1.468 . . . . 1.0 110.943 176.539 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.3 m 55.48 23.13 5.61 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.514 1.526 . . . . 1.0 111.438 -178.346 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.85 144.89 16.77 Favored Pre-proline 0 CA--C 1.534 0.328 0 C-N-CA 124.222 1.009 . . . . 1.0 111.117 -176.785 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -72.42 179.11 5.38 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 C-N-CA 123.895 3.063 . . . . 1.0 111.789 174.461 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.25 89.22 0.76 Allowed 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 125.692 1.597 . . . . 1.0 109.306 -178.167 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 51.86 77.49 0.14 Allowed 'General case' 0 CA--C 1.547 0.85 0 CA-C-O 123.778 1.752 . . . . 1.0 113.8 173.244 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.685 0 O-C-N 118.36 -2.712 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.923 0 CA-C-O 118.769 -0.634 . . . . 1.0 109.514 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -78.73 73.64 5.85 Favored 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 122.581 2.187 . . . . 1.0 110.979 178.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -155.87 44.25 0.44 Allowed 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 113.738 1.014 . . . . 1.0 113.738 -177.149 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -154.14 157.7 32.4 Favored Pre-proline 0 CA--C 1.546 0.803 0 C-N-CA 124.244 1.018 . . . . 1.0 112.282 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -79.46 130.1 8.8 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 123.253 2.636 . . . . 1.0 111.898 174.44 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -98.25 77.36 2.39 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.286 1.434 . . . . 1.0 110.348 -179.149 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 29.4 t80 44.07 83.45 0.21 Allowed Pre-proline 0 CA--C 1.545 0.751 0 C-N-CA 125.751 1.62 . . . . 1.0 112.968 177.406 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -70.67 79.32 1.24 Allowed 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 123.335 2.69 . . . . 1.0 109.894 -178.05 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -72.19 -168.23 10.67 Favored Glycine 0 CA--C 1.525 0.666 0 C-N-CA 126.631 2.062 . . . . 1.0 111.187 172.173 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -153.25 175.07 13.48 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 123.581 0.753 . . . . 1.0 109.197 -179.654 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 53.39 74.26 0.32 Allowed 'General case' 0 CA--C 1.547 0.84 0 CA-C-O 122.382 1.087 . . . . 1.0 112.835 177.046 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -149.56 155.31 40.1 Favored 'General case' 0 C--O 1.234 0.26 0 O-C-N 121.319 -0.863 . . . . 1.0 109.187 173.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.1 p -58.08 155.79 23.24 Favored Pre-proline 0 CA--C 1.541 0.627 0 C-N-CA 123.8 0.84 . . . . 1.0 110.96 175.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -75.02 54.06 3.53 Favored 'Trans proline' 0 CA--C 1.546 1.107 0 C-N-CA 123.398 2.732 . . . . 1.0 112.274 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.04 -20.11 14.91 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.79 2.036 . . . . 1.0 112.399 176.24 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -125.63 -45.73 1.76 Allowed 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 125.147 1.379 . . . . 1.0 111.666 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -37.74 80.06 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 122.97 0.508 . . . . 1.0 111.739 176.825 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.83 1.27 10.91 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.08 1.352 . . . . 1.0 114.166 174.176 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.51 -53.8 2.62 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 125.613 1.565 . . . . 1.0 109.864 177.278 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -61.59 -48.77 79.41 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-O 118.269 -0.872 . . . . 1.0 110.672 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -50.56 -37.52 40.08 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.473 0.916 . . . . 1.0 113.473 -179.411 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.64 -72.72 0.12 Allowed 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 117.824 -1.084 . . . . 1.0 111.485 172.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -50.49 -43.2 55.47 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.327 1.051 . . . . 1.0 111.047 -179.625 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.0 tp -51.8 -58.95 4.96 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 127.144 2.178 . . . . 1.0 111.651 173.498 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.71 -36.82 26.65 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.473 1.033 . . . . 1.0 111.844 177.623 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.1 mtp85 -73.5 -46.64 46.73 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.667 0.787 . . . . 1.0 110.379 177.304 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -46.56 -45.9 19.07 Favored 'General case' 0 C--O 1.219 -0.519 0 C-N-CA 126.63 1.972 . . . . 1.0 110.952 175.064 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.444 HG23 ' O ' ' A' ' 33' ' ' ARG . 4.1 mm -53.62 -50.74 48.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 125.103 1.361 . . . . 1.0 111.965 177.441 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -59.11 -49.76 76.64 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.431 0.692 . . . . 1.0 110.724 174.601 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -65.03 -12.02 45.8 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 115.263 1.579 . . . . 1.0 115.263 176.057 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 tp -97.46 -12.76 22.3 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 128.181 2.592 . . . . 1.0 110.849 174.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.9 m 56.09 25.44 8.98 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.694 1.198 . . . . 1.0 111.698 -176.53 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.444 ' O ' HG23 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -150.36 145.61 18.81 Favored Pre-proline 0 N--CA 1.465 0.324 0 CA-C-O 117.798 -1.096 . . . . 1.0 110.46 -176.232 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -71.35 -177.51 2.43 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 123.854 3.036 . . . . 1.0 112.01 176.521 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.1 ppt_? -125.8 156.9 38.79 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 125.528 1.531 . . . . 1.0 110.945 179.056 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -133.56 99.06 4.38 Favored 'General case' 0 C--O 1.222 -0.367 0 C-N-CA 124.767 1.227 . . . . 1.0 109.654 -178.457 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.661 0 O-C-N 119.691 -1.88 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.07 0 CA-C-O 117.939 -1.029 . . . . 1.0 110.028 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.428 ' C ' HD22 ' A' ' 3' ' ' LEU . 55.6 Cg_endo -76.82 93.73 1.06 Allowed 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 124.137 3.224 . . . . 1.0 111.639 -179.723 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.428 HD22 ' C ' ' A' ' 2' ' ' PRO . 3.9 mm? -129.06 153.13 47.92 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.976 1.71 . . . . 1.0 109.09 178.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 162.34 -59.88 0.0 OUTLIER Pre-proline 0 N--CA 1.479 0.976 0 C-N-CA 127.857 2.463 . . . . 1.0 110.497 -168.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -73.51 -5.62 17.4 Favored 'Trans proline' 0 C--N 1.357 0.998 0 C-N-CA 122.921 2.414 . . . . 1.0 113.792 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.63 146.96 16.83 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 127.954 2.501 . . . . 1.0 108.67 176.551 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.8 p90 -173.01 86.13 0.4 Allowed Pre-proline 0 CA--C 1.551 0.99 0 C-N-CA 126.362 1.865 . . . . 1.0 109.978 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -76.47 148.48 29.8 Favored 'Trans proline' 0 CA--C 1.539 0.757 0 C-N-CA 121.723 1.615 . . . . 1.0 111.91 176.531 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 76.14 149.85 2.89 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 125.055 1.312 . . . . 1.0 112.807 -173.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -156.57 79.57 0.95 Allowed 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.022 0.929 . . . . 1.0 110.228 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 21.2 p-10 -174.27 95.29 0.09 Allowed 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.976 1.311 . . . . 1.0 110.598 -175.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -142.43 170.78 15.06 Favored 'General case' 0 C--O 1.233 0.234 0 O-C-N 121.798 -0.564 . . . . 1.0 110.86 172.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 46.4 p -54.6 150.38 17.97 Favored Pre-proline 0 CA--C 1.538 0.503 0 C-N-CA 124.264 1.026 . . . . 1.0 111.415 177.01 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -69.28 -5.62 16.37 Favored 'Trans proline' 0 CA--C 1.536 0.607 0 C-N-CA 122.148 1.899 . . . . 1.0 112.766 -179.223 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -86.37 -16.85 36.04 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.788 1.235 . . . . 1.0 113.401 170.129 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -86.0 -52.72 5.52 Favored 'General case' 0 C--N 1.344 0.363 0 CA-C-N 119.066 0.848 . . . . 1.0 110.399 -177.246 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -21.87 66.84 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 112.595 0.591 . . . . 1.0 112.595 175.512 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.78 -34.42 59.04 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.154 0.982 . . . . 1.0 112.639 175.261 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -51.62 39.32 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.9 1.28 . . . . 1.0 111.991 176.802 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -60.19 -44.02 95.42 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.052 0.941 . . . . 1.0 111.652 175.019 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.65 -40.11 93.74 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.236 -0.915 . . . . 1.0 111.801 175.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.62 -17.06 64.48 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 113.664 0.987 . . . . 1.0 113.664 172.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -81.89 -44.99 16.09 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 119.808 1.186 . . . . 1.0 110.941 169.254 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.3 tp -55.41 -40.41 71.41 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.155 0.582 . . . . 1.0 112.542 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 60.6 ttt180 -52.02 -39.6 59.76 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.819 0.847 . . . . 1.0 113.012 171.496 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.2 mtt180 -77.12 -44.87 28.83 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.559 1.144 . . . . 1.0 109.58 179.254 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -51.56 -47.03 63.6 Favored 'General case' 0 C--O 1.218 -0.558 0 C-N-CA 124.633 1.173 . . . . 1.0 110.983 174.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.547 HG23 ' HG2' ' A' ' 33' ' ' ARG . 29.6 mt -48.47 -54.9 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 126.217 1.807 . . . . 1.0 112.448 174.147 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -60.82 -29.98 69.81 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 122.886 0.474 . . . . 1.0 111.739 177.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.2 tpp -85.33 -16.59 39.46 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.378 1.471 . . . . 1.0 114.355 177.611 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 tp -96.73 -14.42 22.02 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 128.735 2.814 . . . . 1.0 110.618 178.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.5 m 55.65 34.78 23.94 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.707 1.203 . . . . 1.0 111.074 -177.273 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.547 ' HG2' HG23 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -54.37 147.25 28.88 Favored Pre-proline 0 CA--C 1.539 0.543 0 C-N-CA 124.013 0.925 . . . . 1.0 111.797 -172.482 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -70.73 112.89 3.36 Favored 'Trans proline' 0 N--CA 1.454 -0.826 0 C-N-CA 122.097 1.864 . . . . 1.0 110.349 178.125 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.66 0.26 54.9 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.832 0.853 . . . . 1.0 113.059 177.074 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -121.39 163.05 19.33 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 127.269 2.228 . . . . 1.0 110.863 -178.15 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.562 0 O-C-N 119.235 -2.166 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.969 0 CA-C-O 117.473 -1.251 . . . . 1.0 109.508 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -75.17 -47.67 0.19 Allowed 'Trans proline' 0 CA--C 1.535 0.563 0 C-N-CA 123.234 2.623 . . . . 1.0 112.503 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -98.51 99.79 10.98 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.721 1.208 . . . . 1.0 108.418 173.434 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -70.34 -58.23 5.06 Favored Pre-proline 0 CA--C 1.539 0.553 0 CA-C-O 117.653 -1.165 . . . . 1.0 112.09 168.389 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -73.46 138.15 26.62 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 121.914 1.743 . . . . 1.0 110.988 179.467 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -95.58 152.77 18.14 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.828 0.823 . . . . 1.0 110.851 177.152 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -72.45 155.71 90.98 Favored Pre-proline 0 CA--C 1.547 0.852 0 C-N-CA 124.131 0.972 . . . . 1.0 111.45 178.067 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -70.31 179.72 3.78 Favored 'Trans proline' 0 CA--C 1.54 0.792 0 C-N-CA 122.917 2.412 . . . . 1.0 111.241 171.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.89 -90.53 0.01 OUTLIER Glycine 0 CA--C 1.538 1.488 0 C-N-CA 125.375 1.464 . . . . 1.0 114.625 -178.198 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -174.86 84.9 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.115 1.366 . . . . 1.0 110.776 173.608 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 32.6 p-10 -174.35 73.64 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.511 0 O-C-N 121.282 -0.886 . . . . 1.0 112.353 -174.645 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -152.64 130.04 11.36 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 107.334 -1.358 . . . . 1.0 107.334 172.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 34.8 p -51.1 154.42 2.68 Favored Pre-proline 0 CA--C 1.54 0.571 0 C-N-CA 124.181 0.992 . . . . 1.0 110.909 175.204 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -75.19 58.62 5.07 Favored 'Trans proline' 0 CA--C 1.543 0.961 0 C-N-CA 122.85 2.366 . . . . 1.0 111.098 178.335 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -100.17 -19.69 16.31 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.428 1.891 . . . . 1.0 112.41 173.05 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -125.65 -51.73 1.59 Allowed 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 124.823 1.249 . . . . 1.0 110.326 -177.502 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.67 -25.58 62.94 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 112.847 0.684 . . . . 1.0 112.847 175.545 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.81 -31.37 27.08 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.472 1.109 . . . . 1.0 112.695 173.421 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.84 -60.75 2.08 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.166 1.386 . . . . 1.0 111.324 176.644 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -54.59 -40.35 68.75 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.922 1.289 . . . . 1.0 113.03 176.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.27 -46.0 92.16 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.656 0.783 . . . . 1.0 111.234 175.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.14 -29.29 70.68 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 118.596 -0.716 . . . . 1.0 112.331 173.147 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.31 -54.13 16.13 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.224 1.41 . . . . 1.0 110.856 174.731 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.7 tp -53.67 -40.39 65.87 Favored 'General case' 0 C--N 1.342 0.279 0 CA-C-O 118.735 -0.65 . . . . 1.0 111.414 178.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.572 ' HA ' HD12 ' A' ' 28' ' ' ILE . 3.6 ttt180 -46.9 -44.03 19.38 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 119.043 0.838 . . . . 1.0 112.805 171.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.48 -44.35 58.11 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.53 1.132 . . . . 1.0 110.042 178.443 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -51.97 -50.88 60.39 Favored 'General case' 0 C--O 1.218 -0.588 0 C-N-CA 124.704 1.202 . . . . 1.0 111.064 175.302 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.636 HG23 ' HB3' ' A' ' 33' ' ' ARG . 21.3 mt -51.32 -53.17 16.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 126.079 1.752 . . . . 1.0 110.788 -179.311 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -59.03 -40.22 84.35 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.543 0.737 . . . . 1.0 111.35 176.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 10.4 mmm -73.43 -8.64 56.72 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.563 1.945 . . . . 1.0 115.269 174.253 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.29 -9.29 15.51 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 127.465 2.306 . . . . 1.0 110.431 177.492 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.3 m 57.0 31.94 20.78 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.437 1.095 . . . . 1.0 110.415 -175.458 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.636 ' HB3' HG23 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -48.61 130.58 13.95 Favored Pre-proline 0 N--CA 1.473 0.706 0 C-N-CA 124.62 1.168 . . . . 1.0 110.353 -174.338 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -69.33 112.06 2.9 Favored 'Trans proline' 0 N--CA 1.454 -0.806 0 C-N-CA 122.438 2.092 . . . . 1.0 111.02 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.48 80.57 1.23 Allowed 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.806 0.842 . . . . 1.0 111.265 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -135.79 129.45 32.51 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 122.181 0.991 . . . . 1.0 110.905 -175.386 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.638 0 O-C-N 119.073 -2.267 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.506 ' HB3' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.478 0.967 0 CA-C-O 116.836 -1.554 . . . . 1.0 111.229 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.506 ' HD3' ' HB3' ' A' ' 1' ' ' ALA . 64.6 Cg_endo -72.88 177.55 7.53 Favored 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 121.591 1.527 . . . . 1.0 111.12 172.674 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.9 mp 65.3 92.64 0.07 Allowed 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 127.451 2.3 . . . . 1.0 112.166 -175.01 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -121.19 164.93 20.97 Favored Pre-proline 0 CA--C 1.542 0.643 0 C-N-CA 123.151 0.58 . . . . 1.0 112.081 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -76.31 10.24 2.21 Favored 'Trans proline' 0 CA--C 1.54 0.798 0 C-N-CA 123.649 2.9 . . . . 1.0 112.902 174.456 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -44.97 133.35 6.41 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.185 1.794 . . . . 1.0 111.988 174.369 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -63.75 158.61 59.43 Favored Pre-proline 0 CA--C 1.546 0.793 0 O-C-N 121.714 -0.616 . . . . 1.0 112.256 179.438 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -71.47 174.29 11.14 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 122.688 2.259 . . . . 1.0 111.755 175.339 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 126.9 128.95 3.21 Favored Glycine 0 CA--C 1.529 0.93 0 C-N-CA 124.721 1.153 . . . . 1.0 111.316 -176.267 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -72.92 82.21 1.2 Allowed 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.063 1.345 . . . . 1.0 111.045 173.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -172.07 74.59 0.05 OUTLIER 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.202 1.001 . . . . 1.0 111.935 -178.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -155.49 -174.42 4.96 Favored 'General case' 0 C--O 1.237 0.401 0 O-C-N 121.118 -0.989 . . . . 1.0 110.847 176.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 37.7 p -48.85 148.62 3.69 Favored Pre-proline 0 CA--C 1.539 0.555 0 C-N-CA 125.626 1.57 . . . . 1.0 111.82 174.491 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -67.15 -11.76 33.43 Favored 'Trans proline' 0 CA--C 1.54 0.777 0 C-N-CA 122.498 2.132 . . . . 1.0 113.166 -176.584 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -80.96 -18.65 46.26 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.7 1.6 . . . . 1.0 113.685 170.541 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.6 tm0? -87.79 -51.49 5.83 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 119.399 0.999 . . . . 1.0 110.375 -174.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.97 -25.43 63.56 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.256 0.623 . . . . 1.0 112.612 175.221 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.19 -34.25 56.17 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.978 1.311 . . . . 1.0 112.8 173.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -53.42 26.17 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.788 1.235 . . . . 1.0 111.434 176.131 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -57.22 -48.22 79.37 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 123.827 0.851 . . . . 1.0 111.578 174.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.16 -44.67 83.68 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.826 0.85 . . . . 1.0 111.821 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.91 -56.41 22.33 Favored 'General case' 0 C--N 1.342 0.256 0 CA-C-O 118.057 -0.973 . . . . 1.0 111.475 172.075 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.9 -44.98 64.01 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 119.25 0.932 . . . . 1.0 111.778 176.54 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.9 tt -55.93 -50.05 71.81 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.213 1.405 . . . . 1.0 112.016 177.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.98 -41.68 35.12 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 118.725 0.693 . . . . 1.0 111.809 174.248 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -73.83 -43.86 57.45 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.94 0.896 . . . . 1.0 110.53 178.519 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -52.31 -48.96 65.11 Favored 'General case' 0 C--O 1.219 -0.542 0 C-N-CA 126.051 1.741 . . . . 1.0 110.554 175.722 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 26.8 mt -46.83 -53.67 2.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 125.374 1.469 . . . . 1.0 111.857 176.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -60.38 -46.2 90.82 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.29 0.636 . . . . 1.0 110.664 178.06 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 15.6 mmm -66.04 -11.9 51.49 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.24 1.816 . . . . 1.0 115.414 174.393 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.27 -9.99 17.32 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 127.436 2.294 . . . . 1.0 110.575 176.807 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 26.5 m 58.59 22.15 9.47 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.063 1.345 . . . . 1.0 111.864 -176.324 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -149.61 131.2 7.46 Favored Pre-proline 0 C--N 1.344 0.365 0 C-N-CA 124.306 1.042 . . . . 1.0 110.884 -176.049 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.72 72.35 3.13 Favored 'Trans proline' 0 CA--C 1.537 0.656 0 C-N-CA 123.663 2.908 . . . . 1.0 110.913 176.293 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -56.51 132.67 52.1 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 123.533 0.733 . . . . 1.0 110.578 173.4 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -94.56 -54.52 3.48 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 114.667 -1.151 . . . . 1.0 111.29 176.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.507 0 O-C-N 119.465 -2.022 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.533 ' HB3' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.478 0.933 0 CA-C-O 117.016 -1.469 . . . . 1.0 111.658 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.533 ' HD3' ' HB3' ' A' ' 1' ' ' ALA . 20.8 Cg_endo -71.16 -62.13 0.05 OUTLIER 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 122.245 1.963 . . . . 1.0 111.704 -179.372 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 12.2 tp -170.16 122.04 0.66 Allowed 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 127.112 2.165 . . . . 1.0 107.054 -178.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 156.19 -56.25 0.0 OUTLIER Pre-proline 0 N--CA 1.483 1.209 0 C-N-CA 129.508 3.123 . . . . 1.0 111.432 -176.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -77.31 106.55 2.25 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 122.219 1.946 . . . . 1.0 110.807 178.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -149.53 176.64 10.44 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.965 1.706 . . . . 1.0 109.626 176.031 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -35.46 95.45 0.09 OUTLIER Pre-proline 0 CA--C 1.543 0.71 0 C-N-CA 127.596 2.358 . . . . 1.0 112.414 174.608 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -77.27 172.13 16.54 Favored 'Trans proline' 0 N--CA 1.453 -0.896 0 C-N-CA 121.817 1.678 . . . . 1.0 111.061 -178.157 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.36 93.58 0.88 Allowed Glycine 0 CA--C 1.524 0.594 0 N-CA-C 109.577 -1.409 . . . . 1.0 109.577 176.305 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 56.12 74.6 0.38 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.992 2.117 . . . . 1.0 113.05 176.358 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -162.84 89.23 0.64 Allowed 'General case' 0 CA--C 1.537 0.468 0 O-C-N 121.584 -0.697 . . . . 1.0 112.343 -177.122 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -157.52 -175.58 5.47 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.489 0.716 . . . . 1.0 110.057 177.108 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 52.1 p -46.98 150.02 1.44 Allowed Pre-proline 0 CA--C 1.544 0.733 0 C-N-CA 125.578 1.551 . . . . 1.0 112.537 174.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -70.16 -3.71 12.82 Favored 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 122.979 2.452 . . . . 1.0 112.856 -179.27 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -91.0 -11.52 38.63 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.941 1.696 . . . . 1.0 113.149 170.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -107.52 -47.18 3.68 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 119.461 1.028 . . . . 1.0 111.656 -177.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.7 tmm? -59.77 -34.24 72.74 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 122.573 0.349 . . . . 1.0 110.965 177.357 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.01 7.55 3.16 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.925 1.69 . . . . 1.0 114.503 172.378 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -118.4 -56.05 2.18 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 125.703 1.601 . . . . 1.0 110.175 178.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -63.28 -39.5 94.76 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.136 0.574 . . . . 1.0 111.814 179.196 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.62 -39.59 88.79 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 120.971 -1.081 . . . . 1.0 112.327 179.006 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.34 -26.22 66.41 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 118.338 -0.839 . . . . 1.0 112.623 172.509 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -71.32 -43.64 66.67 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.669 1.588 . . . . 1.0 111.968 173.485 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 24.7 tp -58.39 -45.81 87.6 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.416 0.687 . . . . 1.0 111.087 177.054 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.01 -38.4 17.01 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.861 0.864 . . . . 1.0 112.062 173.717 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.01 -52.41 14.51 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.115 0.966 . . . . 1.0 109.526 177.644 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -47.25 -40.47 16.59 Favored 'General case' 0 C--O 1.223 -0.301 0 C-N-CA 125.009 1.324 . . . . 1.0 112.076 177.261 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 27.5 mt -57.97 -63.08 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 C-N-CA 125.62 1.568 . . . . 1.0 112.374 173.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -58.65 -35.54 72.69 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 117.924 0.329 . . . . 1.0 111.112 178.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 8.1 tpp -67.26 -10.25 48.84 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.695 1.598 . . . . 1.0 113.848 175.509 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.708 HD21 ' HD2' ' A' ' 33' ' ' ARG . 0.1 OUTLIER -108.83 0.1 20.13 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.977 1.711 . . . . 1.0 110.786 175.765 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.5 m 57.82 32.79 22.41 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.384 -0.823 . . . . 1.0 110.513 -174.5 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.708 ' HD2' HD21 ' A' ' 31' ' ' LEU . 2.4 tpt180 -45.91 116.69 3.49 Favored Pre-proline 0 N--CA 1.475 0.819 0 C-N-CA 124.305 1.042 . . . . 1.0 110.349 -173.791 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -70.02 162.49 41.99 Favored 'Trans proline' 0 N--CA 1.45 -1.076 0 C-N-CA 121.164 1.243 . . . . 1.0 110.071 177.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 53.41 90.18 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.977 1.711 . . . . 1.0 112.785 -177.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -57.53 118.75 5.52 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 121.65 0.738 . . . . 1.0 111.419 179.497 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.63 0 O-C-N 119.835 -1.791 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.03 0 CA-C-O 117.669 -1.157 . . . . 1.0 109.573 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -74.19 63.16 5.21 Favored 'Trans proline' 0 CA--C 1.545 1.064 0 C-N-CA 124.196 3.264 . . . . 1.0 112.047 178.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -116.28 87.89 2.78 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 125.489 1.516 . . . . 1.0 109.645 -177.459 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 163.44 -55.66 0.0 OUTLIER Pre-proline 0 CA--C 1.547 0.829 0 C-N-CA 128.908 2.883 . . . . 1.0 111.377 -174.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -77.94 86.78 1.6 Allowed 'Trans proline' 0 C--N 1.355 0.915 0 C-N-CA 122.988 2.458 . . . . 1.0 111.414 -178.184 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.33 141.11 17.06 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 125.14 1.376 . . . . 1.0 109.147 173.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.408 ' CG ' ' HD2' ' A' ' 8' ' ' PRO . 0.7 OUTLIER -160.25 152.58 17.26 Favored Pre-proline 0 CA--C 1.542 0.642 0 CA-C-O 118.61 -0.71 . . . . 1.0 110.449 175.264 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.408 ' HD2' ' CG ' ' A' ' 7' ' ' TYR . 51.6 Cg_endo -74.2 178.49 6.9 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 123.107 2.538 . . . . 1.0 111.825 172.092 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.43 123.62 2.67 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 124.391 0.996 . . . . 1.0 112.5 -177.38 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -96.28 85.16 3.89 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.029 1.332 . . . . 1.0 109.714 -177.083 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -166.86 95.2 0.5 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.161 0.584 . . . . 1.0 110.984 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -155.55 177.77 11.0 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.448 0.699 . . . . 1.0 109.986 175.324 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 76.8 p -50.59 151.14 4.27 Favored Pre-proline 0 CA--C 1.544 0.714 0 C-N-CA 124.775 1.23 . . . . 1.0 112.216 175.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -69.9 -5.89 17.37 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.655 2.237 . . . . 1.0 112.846 -179.354 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -89.15 -19.39 25.56 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.686 1.194 . . . . 1.0 113.227 170.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -93.77 -51.3 4.97 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 118.726 0.693 . . . . 1.0 110.037 -177.614 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -22.36 66.84 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 122.616 0.366 . . . . 1.0 111.885 178.783 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.4 -33.07 65.43 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.78 1.232 . . . . 1.0 112.993 172.027 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.51 -57.25 4.97 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.332 1.053 . . . . 1.0 110.671 176.638 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -55.71 -44.47 77.45 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.143 0.977 . . . . 1.0 112.968 175.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.51 -42.2 95.92 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.241 -0.912 . . . . 1.0 112.189 175.584 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.48 -29.39 67.79 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 118.541 -0.742 . . . . 1.0 112.546 171.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.83 -44.09 64.46 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.346 1.059 . . . . 1.0 111.495 173.186 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 tp -55.66 -43.38 76.22 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.393 0.677 . . . . 1.0 111.816 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.26 -31.72 21.99 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.536 1.134 . . . . 1.0 113.294 171.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.4 mtp85 -87.9 -40.32 14.06 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.545 1.138 . . . . 1.0 109.791 179.087 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -58.33 -34.86 71.08 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.15 1.38 . . . . 1.0 112.743 175.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.9 mt -58.76 -25.99 30.54 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 C-N-CA 124.937 1.295 . . . . 1.0 112.085 171.575 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -86.67 -42.87 13.06 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.074 -1.016 . . . . 1.0 111.189 172.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -19.85 63.89 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 113.532 0.938 . . . . 1.0 113.532 179.243 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.42 HD23 ' O ' ' A' ' 31' ' ' LEU . 9.9 tt -93.23 -7.21 45.78 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.141 1.376 . . . . 1.0 112.084 176.091 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.3 m 58.43 19.59 6.61 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.241 1.416 . . . . 1.0 112.388 -175.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.26 160.83 16.38 Favored Pre-proline 0 CA--C 1.543 0.675 0 C-N-CA 125.293 1.437 . . . . 1.0 111.047 -176.226 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -73.25 -179.14 4.11 Favored 'Trans proline' 0 N--CA 1.455 -0.757 0 C-N-CA 123.351 2.701 . . . . 1.0 112.255 173.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -132.95 120.9 22.04 Favored 'General case' 0 C--O 1.226 -0.146 0 C-N-CA 125.614 1.566 . . . . 1.0 108.894 177.238 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -43.66 -49.67 7.68 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.013 1.725 . . . . 1.0 112.964 172.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 119.455 -2.028 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.524 ' HB3' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.475 0.811 0 CA-C-O 116.034 -1.936 . . . . 1.0 111.014 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.524 ' HD3' ' HB3' ' A' ' 1' ' ' ALA . 38.4 Cg_endo -68.98 118.17 5.5 Favored 'Trans proline' 0 C--N 1.352 0.742 0 C-N-CA 122.445 2.096 . . . . 1.0 109.796 -178.338 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.409 HD12 ' O ' ' A' ' 2' ' ' PRO . 0.1 OUTLIER -175.96 -28.97 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.875 1.67 . . . . 1.0 110.727 175.88 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.77 154.93 84.25 Favored Pre-proline 0 CA--C 1.547 0.861 0 N-CA-C 112.023 0.379 . . . . 1.0 112.023 177.236 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -71.74 175.34 9.75 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 122.287 1.991 . . . . 1.0 111.864 173.576 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -76.85 159.62 29.91 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.563 -0.711 . . . . 1.0 111.696 174.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -132.6 83.1 54.83 Favored Pre-proline 0 CA--C 1.54 0.587 0 C-N-CA 125.245 1.418 . . . . 1.0 108.604 -176.391 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -69.34 179.84 3.2 Favored 'Trans proline' 0 CA--C 1.541 0.865 0 C-N-CA 122.802 2.335 . . . . 1.0 111.225 174.406 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -72.27 -106.41 0.06 OUTLIER Glycine 0 CA--C 1.536 1.378 0 C-N-CA 123.376 0.512 . . . . 1.0 112.777 179.015 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -137.25 70.03 1.4 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.129 0.972 . . . . 1.0 111.088 -175.238 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -162.38 94.29 0.88 Allowed 'General case' 0 CA--C 1.536 0.419 0 O-C-N 121.57 -0.706 . . . . 1.0 111.501 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -153.25 -175.84 5.52 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.284 0.634 . . . . 1.0 110.445 176.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 36.0 p -48.76 149.21 3.21 Favored Pre-proline 0 CA--C 1.543 0.692 0 C-N-CA 125.718 1.607 . . . . 1.0 112.285 174.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -70.19 -4.13 13.7 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.82 2.347 . . . . 1.0 112.981 -177.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -90.32 -15.99 30.08 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.746 1.618 . . . . 1.0 113.062 170.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -100.2 -53.9 3.01 Favored 'General case' 0 C--N 1.343 0.326 0 C-N-CA 123.839 0.855 . . . . 1.0 110.63 -177.662 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -24.78 67.69 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 112.248 0.462 . . . . 1.0 112.248 177.141 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.06 -37.21 52.98 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.615 1.166 . . . . 1.0 112.864 171.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.05 -56.8 13.8 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.49 0.716 . . . . 1.0 110.586 175.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -56.91 -45.16 82.84 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.403 1.081 . . . . 1.0 113.297 176.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.44 -48.43 80.73 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.3 0.64 . . . . 1.0 111.108 176.079 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.18 -30.66 71.21 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 118.764 -0.636 . . . . 1.0 112.105 174.364 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -68.21 -48.28 65.6 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.514 1.526 . . . . 1.0 112.026 174.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.85 -45.95 71.09 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.123 0.969 . . . . 1.0 110.77 176.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.0 ttt85 -46.99 -44.05 19.84 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 118.511 0.596 . . . . 1.0 111.875 174.159 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.33 -47.56 55.76 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 124.416 1.086 . . . . 1.0 109.538 178.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -48.55 -45.25 37.38 Favored 'General case' 0 C--O 1.222 -0.359 0 C-N-CA 125.747 1.619 . . . . 1.0 111.959 176.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.477 HG23 ' HB3' ' A' ' 33' ' ' ARG . 96.3 mt -54.74 -60.14 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 125.337 1.455 . . . . 1.0 111.138 175.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -61.47 -35.03 76.47 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.037 0.535 . . . . 1.0 111.732 178.651 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 8.4 tpp -69.33 -9.1 51.8 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.461 1.905 . . . . 1.0 113.714 174.391 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.448 ' O ' HD12 ' A' ' 31' ' ' LEU . 0.1 OUTLIER -111.52 1.51 16.94 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.764 1.626 . . . . 1.0 110.76 174.213 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 16.3 m 60.0 27.32 16.7 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.461 1.104 . . . . 1.0 110.583 -177.163 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.477 ' HB3' HG23 ' A' ' 28' ' ' ILE . 1.5 ttt85 -46.25 100.52 0.23 Allowed Pre-proline 0 N--CA 1.475 0.78 0 C-N-CA 126.132 1.773 . . . . 1.0 111.675 -169.271 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -76.26 91.94 1.09 Allowed 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 122.292 1.994 . . . . 1.0 110.114 -170.6 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.8 ppt_? -89.99 144.27 26.06 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 124.326 1.05 . . . . 1.0 110.611 178.64 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -158.47 151.31 22.38 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 121.794 0.806 . . . . 1.0 110.477 177.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.614 0 O-C-N 119.623 -1.923 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.365 0 N-CA-C 112.578 0.584 . . . . 1.0 112.578 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.79 -38.73 70.31 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.595 0.758 . . . . 1.0 112.346 173.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.06 -56.54 19.78 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.308 1.043 . . . . 1.0 110.932 175.008 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -57.63 -43.28 84.73 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.298 1.039 . . . . 1.0 113.41 176.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.56 -44.27 93.32 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.305 0.642 . . . . 1.0 111.476 175.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.63 -43.24 99.3 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 118.362 -0.828 . . . . 1.0 112.166 171.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -53.48 -46.04 69.84 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.284 1.434 . . . . 1.0 111.437 175.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.73 -44.87 96.1 Favored 'General case' 0 CA--C 1.535 0.386 0 O-C-N 121.564 -0.71 . . . . 1.0 112.551 176.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.02 -37.44 45.2 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 118.777 0.717 . . . . 1.0 111.587 173.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -70.1 -45.68 66.46 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.4 0.68 . . . . 1.0 109.997 178.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -45.65 -44.02 12.95 Favored 'General case' 0 C--O 1.218 -0.559 0 C-N-CA 124.862 1.265 . . . . 1.0 111.414 175.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.9 mm -54.76 -48.64 72.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 124.778 1.231 . . . . 1.0 112.327 178.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -59.55 -46.87 87.61 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.079 0.551 . . . . 1.0 110.458 174.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.0 mpp? -69.3 -11.04 60.47 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 115.591 1.7 . . . . 1.0 115.591 176.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.1 tp -105.35 -9.75 17.4 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 127.573 2.349 . . . . 1.0 110.576 175.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.3 m . . . . . 0 CA--C 1.545 0.787 0 C-N-CA 125.574 1.55 . . . . 1.0 112.379 -175.425 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.7 tmm? . . . . . 0 CA--C 1.537 0.446 0 N-CA-C 112.668 0.618 . . . . 1.0 112.668 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.35 -33.59 43.63 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.987 1.315 . . . . 1.0 113.033 169.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -68.32 -56.56 8.14 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.492 1.117 . . . . 1.0 111.196 175.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -55.21 -49.18 72.61 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 124.112 0.965 . . . . 1.0 112.086 175.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.81 -39.93 72.02 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.277 1.031 . . . . 1.0 111.854 178.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.06 -62.51 1.83 Allowed 'General case' 0 C--N 1.344 0.348 0 CA-C-O 118.0 -1.0 . . . . 1.0 110.754 173.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.34 -48.23 65.6 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 118.775 0.716 . . . . 1.0 110.801 178.369 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.94 -50.66 57.4 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 125.39 1.476 . . . . 1.0 112.432 175.432 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -54.31 -41.34 68.86 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.608 1.095 . . . . 1.0 111.298 177.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.0 mtp180 -69.62 -46.68 65.67 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.964 0.906 . . . . 1.0 110.194 177.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -53.8 -52.02 61.64 Favored 'General case' 0 C--O 1.215 -0.717 0 C-N-CA 126.567 1.947 . . . . 1.0 110.816 177.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.75 -54.42 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 C-N-CA 126.041 1.736 . . . . 1.0 111.568 175.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.4 t30 -61.02 -44.99 96.59 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.047 0.539 . . . . 1.0 110.838 179.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 7.4 mmm -66.77 -14.69 62.9 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.244 1.818 . . . . 1.0 115.101 173.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.6 tp -99.98 -11.01 20.98 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 127.975 2.51 . . . . 1.0 110.328 177.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.1 m . . . . . 0 CA--C 1.546 0.803 0 C-N-CA 124.606 1.162 . . . . 1.0 111.901 -175.856 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.316 0 CA-C-O 119.291 -0.385 . . . . 1.0 111.905 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.19 -37.13 61.69 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.263 1.025 . . . . 1.0 112.275 172.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.31 -55.69 19.62 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.317 1.047 . . . . 1.0 111.29 176.487 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -59.12 -42.32 90.32 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 124.063 0.945 . . . . 1.0 112.576 176.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.36 -42.63 99.01 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.701 -0.625 . . . . 1.0 111.159 176.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.68 -36.39 83.51 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 118.758 -0.639 . . . . 1.0 112.151 172.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.32 -49.33 74.36 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.761 1.224 . . . . 1.0 111.621 174.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -50.42 -48.67 56.09 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 124.46 1.104 . . . . 1.0 111.092 176.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.9 ttt180 -47.19 -42.28 19.68 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 119.377 0.99 . . . . 1.0 112.428 174.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.8 mtp180 -74.41 -44.78 50.42 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.991 1.316 . . . . 1.0 110.244 178.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -53.67 -48.45 69.44 Favored 'General case' 0 C--O 1.217 -0.64 0 C-N-CA 125.469 1.508 . . . . 1.0 111.707 176.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 95.9 mt -50.0 -55.54 5.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 126.48 1.912 . . . . 1.0 110.446 176.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -57.47 -42.29 82.29 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 122.634 0.373 . . . . 1.0 111.337 176.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.2 tpp -73.82 -9.49 58.7 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.221 1.408 . . . . 1.0 114.68 176.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tp -102.85 -12.54 17.48 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 128.62 2.768 . . . . 1.0 110.001 178.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.473 0.709 0 C-N-CA 124.588 1.155 . . . . 1.0 111.72 -177.191 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.538 0.486 0 N-CA-C 112.326 0.491 . . . . 1.0 112.326 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.88 -31.99 30.41 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.62 1.168 . . . . 1.0 112.477 172.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.74 -58.61 3.18 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.433 1.093 . . . . 1.0 111.86 178.144 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -55.09 -43.63 74.13 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.957 0.903 . . . . 1.0 112.087 175.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.06 -36.59 77.66 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 121.236 -0.915 . . . . 1.0 112.129 175.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.41 -13.89 62.61 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.683 0.994 . . . . 1.0 113.683 173.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -82.36 -47.42 12.35 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.224 1.41 . . . . 1.0 110.361 168.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -57.57 -39.93 77.84 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 112.745 0.646 . . . . 1.0 112.745 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -50.02 -43.28 50.68 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.292 0.637 . . . . 1.0 112.117 170.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -73.52 -46.92 44.87 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.879 0.872 . . . . 1.0 109.429 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -50.11 -47.19 54.07 Favored 'General case' 0 C--O 1.221 -0.419 0 C-N-CA 125.101 1.36 . . . . 1.0 110.952 175.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 42.5 mt -53.24 -59.48 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 C-N-CA 124.711 1.204 . . . . 1.0 111.411 176.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -61.01 -26.41 67.58 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 112.107 0.41 . . . . 1.0 112.107 178.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.7 mtp -82.24 -9.16 59.59 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 126.617 1.967 . . . . 1.0 115.068 173.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.506 ' O ' HD12 ' A' ' 31' ' ' LEU . 0.1 OUTLIER -114.09 -0.09 14.12 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.736 1.614 . . . . 1.0 110.23 175.822 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.9 m . . . . . 0 N--CA 1.47 0.557 0 C-N-CA 124.784 1.234 . . . . 1.0 110.637 -176.015 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.533 0.301 0 CA-C-O 118.261 -0.876 . . . . 1.0 112.413 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.79 -31.13 62.36 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 119.62 1.1 . . . . 1.0 112.411 175.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -65.32 0.7 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.664 1.185 . . . . 1.0 111.032 172.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -55.32 -40.92 71.73 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.224 1.01 . . . . 1.0 113.301 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.57 -48.89 79.87 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.818 0.847 . . . . 1.0 111.678 173.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.42 -30.11 71.29 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 118.475 -0.774 . . . . 1.0 112.502 174.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -66.86 -49.15 66.6 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.923 1.289 . . . . 1.0 111.22 171.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.5 tp -53.25 -45.84 68.93 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 123.573 0.749 . . . . 1.0 111.238 178.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.65 -39.1 10.73 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 118.861 0.755 . . . . 1.0 112.441 173.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.63 -47.37 22.46 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.583 1.153 . . . . 1.0 109.623 179.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -51.83 -38.13 54.6 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.793 1.637 . . . . 1.0 112.82 175.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 89.6 mt -60.8 -54.57 33.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 125.285 1.434 . . . . 1.0 110.69 174.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -60.27 -34.05 73.19 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 118.445 0.566 . . . . 1.0 111.415 176.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 23.6 mmm -76.83 -12.9 60.04 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.483 1.913 . . . . 1.0 115.089 175.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.444 HD23 ' O ' ' A' ' 31' ' ' LEU . 10.1 tt -108.55 -7.17 15.78 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.659 1.584 . . . . 1.0 110.633 175.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.6 m . . . . . 0 N--CA 1.469 0.5 0 C-N-CA 124.968 1.307 . . . . 1.0 110.535 -174.6 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.428 0 N-CA-C 111.85 0.315 . . . . 1.0 111.85 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.55 -32.4 50.54 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.564 1.146 . . . . 1.0 112.874 174.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.47 -58.12 3.81 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.96 1.304 . . . . 1.0 111.394 175.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -57.28 -41.17 79.24 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.637 0.606 . . . . 1.0 112.637 176.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.02 -43.58 95.19 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.809 0.844 . . . . 1.0 112.058 174.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.73 -14.82 63.01 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.808 1.04 . . . . 1.0 113.808 171.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -84.01 -42.4 16.23 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.456 1.103 . . . . 1.0 110.901 167.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.96 -42.57 76.43 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.086 0.954 . . . . 1.0 112.644 179.604 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.4 ttt180 -49.68 -43.32 47.22 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.618 0.767 . . . . 1.0 112.393 172.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -75.39 -47.28 28.21 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.547 1.139 . . . . 1.0 109.468 -178.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -52.12 -43.27 63.89 Favored 'General case' 0 C--O 1.221 -0.416 0 C-N-CA 125.282 1.433 . . . . 1.0 111.606 176.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 31.7 mt -54.36 -56.89 7.75 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 C-N-CA 125.875 1.67 . . . . 1.0 112.071 174.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -58.59 -39.9 81.66 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.067 0.547 . . . . 1.0 110.659 177.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 79.1 mtp -70.31 -8.6 51.68 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.716 1.606 . . . . 1.0 115.27 173.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.27 -0.97 16.24 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.247 1.419 . . . . 1.0 111.694 176.273 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.7 m . . . . . 0 CA--C 1.542 0.671 0 C-N-CA 125.493 1.517 . . . . 1.0 111.803 -177.002 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.193 0 CA-C-O 118.523 -0.751 . . . . 1.0 112.253 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.33 -32.26 48.2 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.851 0.86 . . . . 1.0 112.517 174.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -62.83 1.41 Allowed 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.003 1.321 . . . . 1.0 111.226 177.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -52.45 -37.11 56.14 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.155 0.982 . . . . 1.0 112.899 176.558 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.1 -48.05 83.49 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.439 1.095 . . . . 1.0 112.082 173.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.24 -27.05 68.73 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.594 0.757 . . . . 1.0 112.646 174.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -74.58 -40.84 61.38 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.807 1.643 . . . . 1.0 111.64 172.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.62 -46.57 83.96 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 124.008 0.923 . . . . 1.0 111.851 178.314 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -47.75 -38.95 16.55 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 118.765 0.711 . . . . 1.0 112.471 172.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -76.74 -46.85 23.73 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.695 1.198 . . . . 1.0 109.943 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -52.77 -46.29 67.5 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 125.113 1.365 . . . . 1.0 111.709 176.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 97.0 mt -53.68 -53.38 26.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 125.574 1.55 . . . . 1.0 111.336 177.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -57.93 -47.82 81.72 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.756 0.822 . . . . 1.0 110.482 176.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 83.7 mtp -64.89 -6.5 8.45 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 115.181 1.549 . . . . 1.0 115.181 174.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.51 -4.59 17.12 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 127.492 2.317 . . . . 1.0 110.229 173.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.4 m . . . . . 0 CA--C 1.542 0.645 0 C-N-CA 124.859 1.264 . . . . 1.0 111.149 -174.956 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.351 0 N-CA-C 112.32 0.489 . . . . 1.0 112.32 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.6 -30.01 40.36 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.104 0.962 . . . . 1.0 113.223 173.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -58.23 3.44 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.314 1.046 . . . . 1.0 111.489 174.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -56.78 -41.62 78.0 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.188 0.995 . . . . 1.0 112.757 177.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.77 -46.34 90.83 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.397 1.079 . . . . 1.0 111.732 174.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.69 -21.36 62.79 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 118.332 -0.842 . . . . 1.0 112.734 172.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -76.29 -48.69 19.24 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.296 1.438 . . . . 1.0 111.633 172.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.61 -40.91 69.37 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.361 0.664 . . . . 1.0 112.365 178.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.14 -43.0 41.29 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.571 0.748 . . . . 1.0 112.092 172.103 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.71 -46.34 31.64 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.799 1.24 . . . . 1.0 109.481 -179.096 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -52.01 -42.44 63.01 Favored 'General case' 0 C--O 1.218 -0.555 0 C-N-CA 124.976 1.31 . . . . 1.0 111.255 176.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 26.0 mt -55.19 -56.23 12.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 C-N-CA 125.625 1.57 . . . . 1.0 112.222 175.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -58.65 -37.26 75.57 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 122.855 0.462 . . . . 1.0 110.553 176.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.4 mmm -73.62 -7.89 53.77 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.948 1.699 . . . . 1.0 115.002 174.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.28 -0.46 13.87 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.58 1.552 . . . . 1.0 111.632 177.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.7 m . . . . . 0 CA--C 1.541 0.624 0 C-N-CA 125.764 1.626 . . . . 1.0 111.723 -178.696 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.351 0 N-CA-C 112.32 0.489 . . . . 1.0 112.32 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.6 -30.01 40.36 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.104 0.962 . . . . 1.0 113.223 173.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -58.23 3.44 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.314 1.046 . . . . 1.0 111.489 174.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -56.78 -41.62 78.0 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.188 0.995 . . . . 1.0 112.757 177.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.77 -46.34 90.83 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.397 1.079 . . . . 1.0 111.732 174.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.69 -21.36 62.79 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 118.332 -0.842 . . . . 1.0 112.734 172.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -76.29 -48.69 19.24 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.296 1.438 . . . . 1.0 111.633 172.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.61 -40.91 69.37 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.361 0.664 . . . . 1.0 112.365 178.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.14 -43.0 41.29 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.571 0.748 . . . . 1.0 112.092 172.103 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.71 -46.34 31.64 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.799 1.24 . . . . 1.0 109.481 -179.096 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -52.01 -42.44 63.01 Favored 'General case' 0 C--O 1.218 -0.555 0 C-N-CA 124.976 1.31 . . . . 1.0 111.255 176.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 26.0 mt -55.19 -56.23 12.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 C-N-CA 125.625 1.57 . . . . 1.0 112.222 175.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -58.65 -37.26 75.57 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 122.855 0.462 . . . . 1.0 110.553 176.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.4 mmm -73.62 -7.89 53.77 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.948 1.699 . . . . 1.0 115.002 174.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.28 -0.46 13.87 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.58 1.552 . . . . 1.0 111.632 177.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.7 m . . . . . 0 CA--C 1.541 0.624 0 C-N-CA 125.764 1.626 . . . . 1.0 111.723 -178.696 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.434 0 N-CA-C 112.357 0.503 . . . . 1.0 112.357 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.6 -30.88 44.61 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.102 0.961 . . . . 1.0 113.324 172.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.98 -57.18 4.23 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.168 0.987 . . . . 1.0 111.375 174.445 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -57.82 -41.73 82.85 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.957 0.903 . . . . 1.0 112.811 177.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.64 -46.14 91.44 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.548 1.139 . . . . 1.0 111.793 174.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.05 -22.59 64.72 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 118.15 -0.929 . . . . 1.0 112.704 172.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -74.72 -48.75 24.1 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.918 1.287 . . . . 1.0 111.78 171.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.44 -40.72 68.62 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.332 0.653 . . . . 1.0 112.483 179.083 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.61 -42.67 45.43 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.664 0.786 . . . . 1.0 112.232 171.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.05 -45.94 31.7 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.564 1.145 . . . . 1.0 109.498 -179.236 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -52.14 -42.91 63.74 Favored 'General case' 0 C--O 1.219 -0.535 0 C-N-CA 125.031 1.332 . . . . 1.0 111.315 175.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 24.2 mt -54.31 -55.77 13.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 125.613 1.565 . . . . 1.0 112.26 174.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -59.19 -39.46 82.64 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.08 0.552 . . . . 1.0 110.44 177.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.7 mmm -71.13 -9.1 57.5 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.985 1.714 . . . . 1.0 115.201 174.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.95 -0.14 14.9 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.615 1.566 . . . . 1.0 111.845 177.494 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.7 m . . . . . 0 CA--C 1.543 0.693 0 C-N-CA 125.965 1.706 . . . . 1.0 112.016 -178.354 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.439 0 N-CA-C 112.712 0.634 . . . . 1.0 112.712 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.03 -34.22 63.33 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.433 1.093 . . . . 1.0 112.788 173.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -54.57 23.47 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.3 1.04 . . . . 1.0 110.984 175.586 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -58.19 -44.56 88.11 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.292 1.037 . . . . 1.0 112.685 175.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.34 -44.73 92.62 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.677 0.791 . . . . 1.0 112.022 175.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.85 -40.84 85.48 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 118.66 -0.686 . . . . 1.0 111.591 172.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -59.57 -42.7 93.08 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.836 0.744 . . . . 1.0 112.13 173.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.67 -47.01 80.76 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.363 1.065 . . . . 1.0 112.092 178.205 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -49.96 -37.42 32.17 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 118.823 0.738 . . . . 1.0 112.279 173.431 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.5 mtm180 -77.0 -49.28 15.77 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.117 0.967 . . . . 1.0 109.999 179.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -49.92 -40.79 44.5 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.519 1.528 . . . . 1.0 111.044 174.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 34.7 mt -55.57 -59.7 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 C-N-CA 126.128 1.771 . . . . 1.0 112.125 174.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -60.27 -27.94 67.67 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 118.161 0.437 . . . . 1.0 111.283 177.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 9.2 tpp -81.21 -12.67 59.1 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.472 1.509 . . . . 1.0 114.659 175.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -113.51 -1.03 14.22 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.708 1.603 . . . . 1.0 111.423 178.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 30.3 m . . . . . 0 CA--C 1.537 0.469 0 C-N-CA 126.432 1.893 . . . . 1.0 111.492 -175.843 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.307 0 N-CA-C 113.147 0.795 . . . . 1.0 113.147 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.58 -29.04 35.51 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.896 0.878 . . . . 1.0 113.08 172.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -73.41 -59.26 2.79 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.856 1.263 . . . . 1.0 111.298 174.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -56.3 -43.29 78.77 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.075 0.95 . . . . 1.0 113.104 176.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.56 -41.68 99.06 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.48 -0.762 . . . . 1.0 111.675 178.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.82 -28.82 66.38 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 118.169 -0.92 . . . . 1.0 112.462 171.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -74.7 -43.37 55.47 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.887 1.275 . . . . 1.0 111.564 172.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.45 -40.76 83.5 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.06 0.944 . . . . 1.0 112.207 179.504 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.59 -34.48 58.55 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.598 0.759 . . . . 1.0 112.889 171.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.9 mtt-85 -77.56 -44.65 27.83 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.212 1.005 . . . . 1.0 109.54 177.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -51.68 -48.2 63.57 Favored 'General case' 0 C--O 1.217 -0.622 0 C-N-CA 125.008 1.323 . . . . 1.0 111.399 175.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 53.8 mt -49.49 -54.65 6.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 125.504 1.522 . . . . 1.0 111.754 176.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -60.48 -39.25 86.99 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 122.851 0.46 . . . . 1.0 111.306 177.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 85.4 mtp -73.26 -10.08 59.39 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.453 1.501 . . . . 1.0 114.936 174.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -105.52 -8.1 18.25 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 127.614 2.366 . . . . 1.0 110.317 177.083 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.476 0.842 0 C-N-CA 124.731 1.212 . . . . 1.0 111.497 -174.639 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.42 0 CA-C-O 118.584 -0.722 . . . . 1.0 112.411 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.5 -30.54 60.85 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 114.042 1.127 . . . . 1.0 114.042 171.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.0 -49.99 11.03 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.485 1.114 . . . . 1.0 110.564 177.534 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -58.82 -54.93 41.55 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-O 118.809 -0.615 . . . . 1.0 111.612 176.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -46.43 -39.19 10.16 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.54 1.536 . . . . 1.0 113.131 179.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.56 -70.78 0.11 Allowed 'General case' 0 C--N 1.343 0.295 0 CA-C-O 118.086 -0.959 . . . . 1.0 110.868 173.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.13 -38.78 58.57 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.548 0.739 . . . . 1.0 111.616 178.329 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.73 -50.74 72.79 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.698 1.599 . . . . 1.0 112.736 177.347 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.62 -39.21 57.62 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.312 0.645 . . . . 1.0 111.18 172.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.6 mtt180 -69.48 -49.06 58.3 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 118.165 -0.921 . . . . 1.0 110.027 176.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -49.07 -46.07 44.0 Favored 'General case' 0 C--O 1.222 -0.388 0 C-N-CA 127.447 2.299 . . . . 1.0 111.715 178.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 68.7 mt -54.59 -58.75 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 C-N-CA 124.804 1.242 . . . . 1.0 111.01 174.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -59.77 -35.08 73.89 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 121.896 -0.503 . . . . 1.0 111.936 177.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 14.1 mmm -72.69 -9.38 58.56 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 127.141 2.176 . . . . 1.0 114.657 174.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.24 -3.38 16.3 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.369 1.468 . . . . 1.0 110.943 176.539 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.3 m . . . . . 0 N--CA 1.471 0.624 0 C-N-CA 125.514 1.526 . . . . 1.0 111.438 -178.346 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.427 0 N-CA-C 111.739 0.274 . . . . 1.0 111.739 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.83 1.27 10.91 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.08 1.352 . . . . 1.0 114.166 174.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.51 -53.8 2.62 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 125.613 1.565 . . . . 1.0 109.864 177.278 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -61.59 -48.77 79.41 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-O 118.269 -0.872 . . . . 1.0 110.672 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -50.56 -37.52 40.08 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.473 0.916 . . . . 1.0 113.473 -179.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.64 -72.72 0.12 Allowed 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 117.824 -1.084 . . . . 1.0 111.485 172.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -50.49 -43.2 55.47 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.327 1.051 . . . . 1.0 111.047 -179.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.0 tp -51.8 -58.95 4.96 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 127.144 2.178 . . . . 1.0 111.651 173.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.71 -36.82 26.65 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.473 1.033 . . . . 1.0 111.844 177.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.1 mtp85 -73.5 -46.64 46.73 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.667 0.787 . . . . 1.0 110.379 177.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -46.56 -45.9 19.07 Favored 'General case' 0 C--O 1.219 -0.519 0 C-N-CA 126.63 1.972 . . . . 1.0 110.952 175.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.1 mm -53.62 -50.74 48.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 125.103 1.361 . . . . 1.0 111.965 177.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -59.11 -49.76 76.64 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.431 0.692 . . . . 1.0 110.724 174.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -65.03 -12.02 45.8 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 115.263 1.579 . . . . 1.0 115.263 176.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 tp -97.46 -12.76 22.3 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 128.181 2.592 . . . . 1.0 110.849 174.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.9 m . . . . . 0 N--CA 1.476 0.872 0 C-N-CA 124.694 1.198 . . . . 1.0 111.698 -176.53 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.424 0 N-CA-C 112.595 0.591 . . . . 1.0 112.595 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.78 -34.42 59.04 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.154 0.982 . . . . 1.0 112.639 175.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -51.62 39.32 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.9 1.28 . . . . 1.0 111.991 176.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -60.19 -44.02 95.42 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.052 0.941 . . . . 1.0 111.652 175.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.65 -40.11 93.74 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.236 -0.915 . . . . 1.0 111.801 175.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.62 -17.06 64.48 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 113.664 0.987 . . . . 1.0 113.664 172.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -81.89 -44.99 16.09 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 119.808 1.186 . . . . 1.0 110.941 169.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.3 tp -55.41 -40.41 71.41 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.155 0.582 . . . . 1.0 112.542 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 60.6 ttt180 -52.02 -39.6 59.76 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.819 0.847 . . . . 1.0 113.012 171.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.2 mtt180 -77.12 -44.87 28.83 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.559 1.144 . . . . 1.0 109.58 179.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -51.56 -47.03 63.6 Favored 'General case' 0 C--O 1.218 -0.558 0 C-N-CA 124.633 1.173 . . . . 1.0 110.983 174.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 29.6 mt -48.47 -54.9 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 126.217 1.807 . . . . 1.0 112.448 174.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -60.82 -29.98 69.81 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 122.886 0.474 . . . . 1.0 111.739 177.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.2 tpp -85.33 -16.59 39.46 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.378 1.471 . . . . 1.0 114.355 177.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 tp -96.73 -14.42 22.02 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 128.735 2.814 . . . . 1.0 110.618 178.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.5 m . . . . . 0 N--CA 1.473 0.713 0 C-N-CA 124.707 1.203 . . . . 1.0 111.074 -177.273 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.467 0.392 0 N-CA-C 112.847 0.684 . . . . 1.0 112.847 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.81 -31.37 27.08 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.472 1.109 . . . . 1.0 112.695 173.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.84 -60.75 2.08 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.166 1.386 . . . . 1.0 111.324 176.644 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -54.59 -40.35 68.75 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.922 1.289 . . . . 1.0 113.03 176.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.27 -46.0 92.16 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.656 0.783 . . . . 1.0 111.234 175.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.14 -29.29 70.68 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 118.596 -0.716 . . . . 1.0 112.331 173.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.31 -54.13 16.13 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.224 1.41 . . . . 1.0 110.856 174.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.7 tp -53.67 -40.39 65.87 Favored 'General case' 0 C--N 1.342 0.279 0 CA-C-O 118.735 -0.65 . . . . 1.0 111.414 178.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.572 ' HA ' HD12 ' A' ' 28' ' ' ILE . 3.6 ttt180 -46.9 -44.03 19.38 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 119.043 0.838 . . . . 1.0 112.805 171.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.48 -44.35 58.11 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.53 1.132 . . . . 1.0 110.042 178.443 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -51.97 -50.88 60.39 Favored 'General case' 0 C--O 1.218 -0.588 0 C-N-CA 124.704 1.202 . . . . 1.0 111.064 175.302 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.572 HD12 ' HA ' ' A' ' 25' ' ' ARG . 21.3 mt -51.32 -53.17 16.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 126.079 1.752 . . . . 1.0 110.788 -179.311 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -59.03 -40.22 84.35 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.543 0.737 . . . . 1.0 111.35 176.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 10.4 mmm -73.43 -8.64 56.72 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.563 1.945 . . . . 1.0 115.269 174.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.29 -9.29 15.51 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 127.465 2.306 . . . . 1.0 110.431 177.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.3 m . . . . . 0 CA--C 1.543 0.678 0 C-N-CA 124.437 1.095 . . . . 1.0 110.415 -175.458 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.538 0.483 0 N-CA-C 112.612 0.597 . . . . 1.0 112.612 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.19 -34.25 56.17 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.978 1.311 . . . . 1.0 112.8 173.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -53.42 26.17 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.788 1.235 . . . . 1.0 111.434 176.131 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -57.22 -48.22 79.37 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 123.827 0.851 . . . . 1.0 111.578 174.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.16 -44.67 83.68 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.826 0.85 . . . . 1.0 111.821 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.91 -56.41 22.33 Favored 'General case' 0 C--N 1.342 0.256 0 CA-C-O 118.057 -0.973 . . . . 1.0 111.475 172.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.9 -44.98 64.01 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 119.25 0.932 . . . . 1.0 111.778 176.54 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.9 tt -55.93 -50.05 71.81 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.213 1.405 . . . . 1.0 112.016 177.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.98 -41.68 35.12 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 118.725 0.693 . . . . 1.0 111.809 174.248 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -73.83 -43.86 57.45 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.94 0.896 . . . . 1.0 110.53 178.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -52.31 -48.96 65.11 Favored 'General case' 0 C--O 1.219 -0.542 0 C-N-CA 126.051 1.741 . . . . 1.0 110.554 175.722 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 26.8 mt -46.83 -53.67 2.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 125.374 1.469 . . . . 1.0 111.857 176.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -60.38 -46.2 90.82 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.29 0.636 . . . . 1.0 110.664 178.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 15.6 mmm -66.04 -11.9 51.49 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.24 1.816 . . . . 1.0 115.414 174.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.27 -9.99 17.32 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 127.436 2.294 . . . . 1.0 110.575 176.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 26.5 m . . . . . 0 CA--C 1.544 0.726 0 C-N-CA 125.063 1.345 . . . . 1.0 111.864 -176.324 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.7 tmm? . . . . . 0 CA--C 1.541 0.632 0 CA-C-O 120.491 0.186 . . . . 1.0 110.965 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.01 7.55 3.16 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.925 1.69 . . . . 1.0 114.503 172.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -118.4 -56.05 2.18 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 125.703 1.601 . . . . 1.0 110.175 178.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -63.28 -39.5 94.76 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.136 0.574 . . . . 1.0 111.814 179.196 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.62 -39.59 88.79 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 120.971 -1.081 . . . . 1.0 112.327 179.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.34 -26.22 66.41 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 118.338 -0.839 . . . . 1.0 112.623 172.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -71.32 -43.64 66.67 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.669 1.588 . . . . 1.0 111.968 173.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 24.7 tp -58.39 -45.81 87.6 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.416 0.687 . . . . 1.0 111.087 177.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.01 -38.4 17.01 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.861 0.864 . . . . 1.0 112.062 173.717 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.01 -52.41 14.51 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.115 0.966 . . . . 1.0 109.526 177.644 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -47.25 -40.47 16.59 Favored 'General case' 0 C--O 1.223 -0.301 0 C-N-CA 125.009 1.324 . . . . 1.0 112.076 177.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 27.5 mt -57.97 -63.08 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 C-N-CA 125.62 1.568 . . . . 1.0 112.374 173.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -58.65 -35.54 72.69 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 117.924 0.329 . . . . 1.0 111.112 178.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 8.1 tpp -67.26 -10.25 48.84 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.695 1.598 . . . . 1.0 113.848 175.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.443 ' O ' HD12 ' A' ' 31' ' ' LEU . 0.1 OUTLIER -108.83 0.1 20.13 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.977 1.711 . . . . 1.0 110.786 175.765 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.5 m . . . . . 0 CA--C 1.542 0.672 0 O-C-N 121.384 -0.823 . . . . 1.0 110.513 -174.5 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.384 0 N-CA-C 111.885 0.328 . . . . 1.0 111.885 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.4 -33.07 65.43 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.78 1.232 . . . . 1.0 112.993 172.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.51 -57.25 4.97 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.332 1.053 . . . . 1.0 110.671 176.638 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -55.71 -44.47 77.45 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.143 0.977 . . . . 1.0 112.968 175.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.51 -42.2 95.92 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.241 -0.912 . . . . 1.0 112.189 175.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.48 -29.39 67.79 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 118.541 -0.742 . . . . 1.0 112.546 171.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.83 -44.09 64.46 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.346 1.059 . . . . 1.0 111.495 173.186 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 tp -55.66 -43.38 76.22 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.393 0.677 . . . . 1.0 111.816 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.26 -31.72 21.99 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.536 1.134 . . . . 1.0 113.294 171.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.4 mtp85 -87.9 -40.32 14.06 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.545 1.138 . . . . 1.0 109.791 179.087 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -58.33 -34.86 71.08 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.15 1.38 . . . . 1.0 112.743 175.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.9 mt -58.76 -25.99 30.54 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 C-N-CA 124.937 1.295 . . . . 1.0 112.085 171.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -86.67 -42.87 13.06 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.074 -1.016 . . . . 1.0 111.189 172.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -19.85 63.89 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 113.532 0.938 . . . . 1.0 113.532 179.243 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.42 HD23 ' O ' ' A' ' 31' ' ' LEU . 9.9 tt -93.23 -7.21 45.78 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.141 1.376 . . . . 1.0 112.084 176.091 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.3 m . . . . . 0 N--CA 1.478 0.959 0 C-N-CA 125.241 1.416 . . . . 1.0 112.388 -175.963 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.537 0.443 0 N-CA-C 112.248 0.462 . . . . 1.0 112.248 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.06 -37.21 52.98 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.615 1.166 . . . . 1.0 112.864 171.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.05 -56.8 13.8 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.49 0.716 . . . . 1.0 110.586 175.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -56.91 -45.16 82.84 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.403 1.081 . . . . 1.0 113.297 176.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.44 -48.43 80.73 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.3 0.64 . . . . 1.0 111.108 176.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.18 -30.66 71.21 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 118.764 -0.636 . . . . 1.0 112.105 174.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -68.21 -48.28 65.6 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.514 1.526 . . . . 1.0 112.026 174.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.85 -45.95 71.09 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.123 0.969 . . . . 1.0 110.77 176.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.0 ttt85 -46.99 -44.05 19.84 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 118.511 0.596 . . . . 1.0 111.875 174.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.33 -47.56 55.76 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 124.416 1.086 . . . . 1.0 109.538 178.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -48.55 -45.25 37.38 Favored 'General case' 0 C--O 1.222 -0.359 0 C-N-CA 125.747 1.619 . . . . 1.0 111.959 176.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 96.3 mt -54.74 -60.14 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 125.337 1.455 . . . . 1.0 111.138 175.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -61.47 -35.03 76.47 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.037 0.535 . . . . 1.0 111.732 178.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 8.4 tpp -69.33 -9.1 51.8 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.461 1.905 . . . . 1.0 113.714 174.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.448 ' O ' HD12 ' A' ' 31' ' ' LEU . 0.1 OUTLIER -111.52 1.51 16.94 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.764 1.626 . . . . 1.0 110.76 174.213 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 16.3 m . . . . . 0 N--CA 1.472 0.638 0 C-N-CA 124.461 1.104 . . . . 1.0 110.583 -177.163 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.875 0 N-CA-C 109.353 -0.61 . . . . 1.0 109.353 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -74.65 163.32 36.11 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 122.919 2.413 . . . . 1.0 111.174 175.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -167.12 111.75 0.73 Allowed 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.754 1.221 . . . . 1.0 109.071 178.411 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 36.41 75.69 0.5 Allowed Pre-proline 0 N--CA 1.478 0.974 0 C-N-CA 126.502 1.921 . . . . 1.0 113.468 -177.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.88 151.16 62.42 Favored 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 121.752 1.634 . . . . 1.0 110.927 -178.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -148.06 119.25 7.76 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 106.739 -1.578 . . . . 1.0 106.739 178.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -44.44 94.62 0.08 OUTLIER Pre-proline 0 CA--C 1.543 0.673 0 C-N-CA 126.673 1.989 . . . . 1.0 111.36 177.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -79.82 168.39 19.33 Favored 'Trans proline' 0 N--CA 1.453 -0.897 0 C-N-CA 121.713 1.609 . . . . 1.0 109.504 -177.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -41.29 -74.03 0.18 Allowed Glycine 0 CA--C 1.533 1.164 0 C-N-CA 125.553 1.549 . . . . 1.0 114.227 -171.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -153.16 59.26 0.78 Allowed 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 122.98 1.372 . . . . 1.0 112.511 -173.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -159.83 113.72 2.25 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 125.128 1.371 . . . . 1.0 108.605 -177.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -50.35 136.61 19.95 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.464 -0.773 . . . . 1.0 109.924 171.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 72.7 p -44.65 148.43 0.92 Allowed Pre-proline 0 CA--C 1.539 0.523 0 C-N-CA 125.29 1.436 . . . . 1.0 112.599 -175.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -67.11 -11.94 34.15 Favored 'Trans proline' 0 CA--C 1.541 0.838 0 C-N-CA 121.472 1.448 . . . . 1.0 112.838 -175.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -73.09 -18.12 61.34 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.416 1.086 . . . . 1.0 113.569 169.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.04 -55.76 5.03 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 119.248 0.931 . . . . 1.0 110.763 -176.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -23.22 66.58 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.736 0.814 . . . . 1.0 112.578 175.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.79 -38.73 70.31 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.595 0.758 . . . . 1.0 112.346 173.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.06 -56.54 19.78 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.308 1.043 . . . . 1.0 110.932 175.008 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -57.63 -43.28 84.73 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.298 1.039 . . . . 1.0 113.41 176.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.56 -44.27 93.32 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.305 0.642 . . . . 1.0 111.476 175.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.63 -43.24 99.3 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 118.362 -0.828 . . . . 1.0 112.166 171.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -53.48 -46.04 69.84 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.284 1.434 . . . . 1.0 111.437 175.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.73 -44.87 96.1 Favored 'General case' 0 CA--C 1.535 0.386 0 O-C-N 121.564 -0.71 . . . . 1.0 112.551 176.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.02 -37.44 45.2 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 118.777 0.717 . . . . 1.0 111.587 173.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -70.1 -45.68 66.46 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.4 0.68 . . . . 1.0 109.997 178.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -45.65 -44.02 12.95 Favored 'General case' 0 C--O 1.218 -0.559 0 C-N-CA 124.862 1.265 . . . . 1.0 111.414 175.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.9 mm -54.76 -48.64 72.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 124.778 1.231 . . . . 1.0 112.327 178.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -59.55 -46.87 87.61 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.079 0.551 . . . . 1.0 110.458 174.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.0 mpp? -69.3 -11.04 60.47 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 115.591 1.7 . . . . 1.0 115.591 176.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.1 tp -105.35 -9.75 17.4 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 127.573 2.349 . . . . 1.0 110.576 175.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.3 m 58.46 16.36 4.12 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.574 1.55 . . . . 1.0 112.379 -175.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -159.34 157.63 27.38 Favored Pre-proline 0 N--CA 1.469 0.492 0 C-N-CA 126.252 1.821 . . . . 1.0 111.484 -176.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -73.92 157.96 46.73 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 122.525 2.15 . . . . 1.0 112.1 174.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -105.12 -27.67 11.47 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.825 1.25 . . . . 1.0 112.887 178.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 57.49 -173.35 0.08 Allowed 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.75 1.62 . . . . 1.0 113.625 178.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.542 0 O-C-N 119.297 -2.127 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.064 0 N-CA-C 109.8 -0.445 . . . . 1.0 109.8 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -77.14 -59.95 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 123.035 2.49 . . . . 1.0 111.548 177.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -166.8 65.61 0.09 Allowed 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.914 1.286 . . . . 1.0 110.311 -177.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 54.85 76.61 0.5 Allowed Pre-proline 0 CA--C 1.55 0.943 0 C-N-CA 125.58 1.552 . . . . 1.0 112.884 -177.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -69.66 157.26 61.18 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 122.073 1.849 . . . . 1.0 111.998 -176.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -89.45 162.25 15.84 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.05 0.94 . . . . 1.0 111.336 176.131 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -146.0 155.02 51.44 Favored Pre-proline 0 CA--C 1.539 0.52 0 C-N-CA 124.508 1.123 . . . . 1.0 110.079 -178.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -70.91 156.53 60.18 Favored 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 122.364 2.043 . . . . 1.0 111.728 178.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 132.0 136.47 3.85 Favored Glycine 0 CA--C 1.532 1.137 0 C-N-CA 125.173 1.368 . . . . 1.0 111.714 -178.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -141.01 88.18 2.16 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.487 1.115 . . . . 1.0 109.47 178.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -174.97 92.55 0.07 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.577 1.551 . . . . 1.0 109.259 178.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -161.25 175.86 11.85 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.224 1.01 . . . . 1.0 109.768 173.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.8 p -47.88 149.59 2.28 Favored Pre-proline 0 CA--C 1.543 0.696 0 C-N-CA 125.375 1.47 . . . . 1.0 112.458 174.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -69.05 -10.43 29.12 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 122.168 1.912 . . . . 1.0 113.003 -178.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -78.68 -23.23 45.76 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.521 1.128 . . . . 1.0 113.369 169.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -85.76 -51.79 6.2 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-N 118.728 0.694 . . . . 1.0 110.147 -177.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.7 tmm? -63.38 -20.78 65.83 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.668 0.618 . . . . 1.0 112.668 -178.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.35 -33.59 43.63 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.987 1.315 . . . . 1.0 113.033 169.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -68.32 -56.56 8.14 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.492 1.117 . . . . 1.0 111.196 175.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -55.21 -49.18 72.61 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 124.112 0.965 . . . . 1.0 112.086 175.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.81 -39.93 72.02 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.277 1.031 . . . . 1.0 111.854 178.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.06 -62.51 1.83 Allowed 'General case' 0 C--N 1.344 0.348 0 CA-C-O 118.0 -1.0 . . . . 1.0 110.754 173.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.34 -48.23 65.6 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 118.775 0.716 . . . . 1.0 110.801 178.369 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.94 -50.66 57.4 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 125.39 1.476 . . . . 1.0 112.432 175.432 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -54.31 -41.34 68.86 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.608 1.095 . . . . 1.0 111.298 177.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.0 mtp180 -69.62 -46.68 65.67 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.964 0.906 . . . . 1.0 110.194 177.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -53.8 -52.02 61.64 Favored 'General case' 0 C--O 1.215 -0.717 0 C-N-CA 126.567 1.947 . . . . 1.0 110.816 177.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.416 HG23 ' HA ' ' A' ' 34' ' ' PRO . 12.2 mt -46.75 -54.42 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 C-N-CA 126.041 1.736 . . . . 1.0 111.568 175.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.4 t30 -61.02 -44.99 96.59 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.047 0.539 . . . . 1.0 110.838 179.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 7.4 mmm -66.77 -14.69 62.9 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.244 1.818 . . . . 1.0 115.101 173.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.6 tp -99.98 -11.01 20.98 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 127.975 2.51 . . . . 1.0 110.328 177.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.1 m 56.4 23.32 7.26 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.606 1.162 . . . . 1.0 111.901 -175.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.93 91.16 33.67 Favored Pre-proline 0 N--CA 1.471 0.604 0 C-N-CA 124.702 1.201 . . . . 1.0 110.415 -176.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.416 ' HA ' HG23 ' A' ' 28' ' ' ILE . 37.2 Cg_endo -69.6 154.56 68.2 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 122.609 2.206 . . . . 1.0 112.338 177.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.69 -26.07 14.48 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.197 0.999 . . . . 1.0 112.932 178.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 48.54 77.2 0.1 Allowed 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 127.085 2.154 . . . . 1.0 113.576 176.009 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.614 0 O-C-N 118.559 -2.588 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.487 ' HB1' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.482 1.139 0 CA-C-O 117.651 -1.166 . . . . 1.0 110.404 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.487 ' HD2' ' HB1' ' A' ' 1' ' ' ALA . 48.7 Cg_endo -73.59 91.72 0.88 Allowed 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 123.792 2.994 . . . . 1.0 110.791 -179.167 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 44.68 80.98 0.04 OUTLIER 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.666 1.986 . . . . 1.0 111.278 -177.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.86 148.96 3.44 Favored Pre-proline 0 CA--C 1.541 0.616 0 C-N-CA 123.481 0.712 . . . . 1.0 111.48 -176.139 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -68.2 -2.5 9.06 Favored 'Trans proline' 0 CA--C 1.538 0.681 0 C-N-CA 122.592 2.195 . . . . 1.0 113.863 -178.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 69.12 112.26 0.05 OUTLIER 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 128.465 2.706 . . . . 1.0 111.427 176.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -143.71 86.66 8.59 Favored Pre-proline 0 CA--C 1.538 0.49 0 O-C-N 121.721 -0.612 . . . . 1.0 110.095 -172.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -70.75 -8.87 24.59 Favored 'Trans proline' 0 CA--C 1.541 0.865 0 C-N-CA 122.549 2.166 . . . . 1.0 113.245 176.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 79.96 69.05 1.42 Allowed Glycine 0 C--N 1.34 0.797 0 C-N-CA 124.431 1.015 . . . . 1.0 111.805 178.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -141.69 166.49 24.6 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.86 1.664 . . . . 1.0 110.213 -178.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.9 t30 61.72 87.38 0.1 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 126.301 1.841 . . . . 1.0 113.242 175.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 63.76 159.16 0.09 Allowed 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.463 1.505 . . . . 1.0 112.07 -162.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.6 p -59.41 151.16 61.17 Favored Pre-proline 0 CA--C 1.542 0.643 0 O-C-N 121.336 -0.852 . . . . 1.0 111.204 178.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -67.55 -12.27 35.05 Favored 'Trans proline' 0 CA--C 1.538 0.705 0 C-N-CA 122.068 1.846 . . . . 1.0 112.929 -177.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -74.69 -19.23 60.34 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.697 1.199 . . . . 1.0 113.233 171.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -80.8 -52.21 7.76 Favored 'General case' 0 C--N 1.343 0.321 0 CA-C-N 119.027 0.83 . . . . 1.0 110.543 -178.253 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -26.13 68.69 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.361 0.664 . . . . 1.0 111.905 178.103 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.19 -37.13 61.69 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.263 1.025 . . . . 1.0 112.275 172.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.31 -55.69 19.62 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.317 1.047 . . . . 1.0 111.29 176.487 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -59.12 -42.32 90.32 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 124.063 0.945 . . . . 1.0 112.576 176.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.36 -42.63 99.01 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.701 -0.625 . . . . 1.0 111.159 176.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.68 -36.39 83.51 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 118.758 -0.639 . . . . 1.0 112.151 172.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.32 -49.33 74.36 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.761 1.224 . . . . 1.0 111.621 174.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -50.42 -48.67 56.09 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 124.46 1.104 . . . . 1.0 111.092 176.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.9 ttt180 -47.19 -42.28 19.68 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 119.377 0.99 . . . . 1.0 112.428 174.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.8 mtp180 -74.41 -44.78 50.42 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.991 1.316 . . . . 1.0 110.244 178.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -53.67 -48.45 69.44 Favored 'General case' 0 C--O 1.217 -0.64 0 C-N-CA 125.469 1.508 . . . . 1.0 111.707 176.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.546 HG23 ' O ' ' A' ' 33' ' ' ARG . 95.9 mt -50.0 -55.54 5.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 126.48 1.912 . . . . 1.0 110.446 176.126 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -57.47 -42.29 82.29 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 122.634 0.373 . . . . 1.0 111.337 176.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.2 tpp -73.82 -9.49 58.7 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.221 1.408 . . . . 1.0 114.68 176.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tp -102.85 -12.54 17.48 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 128.62 2.768 . . . . 1.0 110.001 178.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.3 m 56.93 24.91 9.92 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.588 1.155 . . . . 1.0 111.72 -177.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.546 ' O ' HG23 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -145.91 142.7 18.14 Favored Pre-proline 0 N--CA 1.467 0.394 0 C-N-CA 124.672 1.189 . . . . 1.0 110.426 -174.341 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -70.64 178.41 5.14 Favored 'Trans proline' 0 CA--C 1.539 0.771 0 C-N-CA 123.782 2.988 . . . . 1.0 112.444 178.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -63.25 119.38 9.5 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 123.347 0.659 . . . . 1.0 110.104 173.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -48.05 120.68 3.66 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.978 1.711 . . . . 1.0 111.654 175.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.564 0 O-C-N 119.704 -1.873 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 117.908 -1.044 . . . . 1.0 109.701 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -73.47 -52.2 0.14 Allowed 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 123.125 2.55 . . . . 1.0 111.827 -179.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.593 HD23 ' H ' ' A' ' 3' ' ' LEU . 2.2 pt? -79.14 130.41 35.46 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.285 0.634 . . . . 1.0 109.929 172.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -103.51 158.46 31.78 Favored Pre-proline 0 CA--C 1.545 0.764 0 C-N-CA 123.964 0.906 . . . . 1.0 111.477 175.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -74.24 73.56 3.82 Favored 'Trans proline' 0 CA--C 1.543 0.929 0 C-N-CA 123.843 3.029 . . . . 1.0 112.044 -179.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -95.62 112.14 23.92 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.468 1.107 . . . . 1.0 111.766 178.016 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -145.02 61.71 8.35 Favored Pre-proline 0 CA--C 1.549 0.937 0 C-N-CA 125.466 1.506 . . . . 1.0 110.684 176.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -73.24 111.32 3.25 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 122.339 2.026 . . . . 1.0 110.799 177.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.15 83.27 1.52 Allowed Glycine 0 CA--C 1.526 0.754 0 C-N-CA 124.018 0.818 . . . . 1.0 112.336 178.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -135.92 140.25 43.9 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.607 1.563 . . . . 1.0 109.129 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -167.26 82.14 0.21 Allowed 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 126.307 1.843 . . . . 1.0 107.307 175.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.64 162.28 15.69 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 121.561 0.696 . . . . 1.0 109.732 171.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 62.0 p -44.75 147.26 1.13 Allowed Pre-proline 0 CA--C 1.544 0.725 0 C-N-CA 125.512 1.525 . . . . 1.0 113.081 175.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -70.55 -1.9 9.86 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 123.186 2.591 . . . . 1.0 113.128 -178.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -89.13 -17.26 29.57 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.403 1.481 . . . . 1.0 112.757 169.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -109.78 -49.25 3.11 Favored 'General case' 0 C--N 1.346 0.453 0 C-N-CA 124.53 1.132 . . . . 1.0 111.205 -178.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -62.87 -21.44 65.98 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 112.326 0.491 . . . . 1.0 112.326 176.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.88 -31.99 30.41 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.62 1.168 . . . . 1.0 112.477 172.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.74 -58.61 3.18 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.433 1.093 . . . . 1.0 111.86 178.144 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -55.09 -43.63 74.13 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.957 0.903 . . . . 1.0 112.087 175.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.06 -36.59 77.66 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 121.236 -0.915 . . . . 1.0 112.129 175.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.41 -13.89 62.61 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.683 0.994 . . . . 1.0 113.683 173.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -82.36 -47.42 12.35 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.224 1.41 . . . . 1.0 110.361 168.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -57.57 -39.93 77.84 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 112.745 0.646 . . . . 1.0 112.745 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -50.02 -43.28 50.68 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.292 0.637 . . . . 1.0 112.117 170.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -73.52 -46.92 44.87 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.879 0.872 . . . . 1.0 109.429 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -50.11 -47.19 54.07 Favored 'General case' 0 C--O 1.221 -0.419 0 C-N-CA 125.101 1.36 . . . . 1.0 110.952 175.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.773 HG23 ' HB3' ' A' ' 33' ' ' ARG . 42.5 mt -53.24 -59.48 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 C-N-CA 124.711 1.204 . . . . 1.0 111.411 176.284 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -61.01 -26.41 67.58 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 112.107 0.41 . . . . 1.0 112.107 178.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.7 mtp -82.24 -9.16 59.59 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 126.617 1.967 . . . . 1.0 115.068 173.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.506 ' O ' HD12 ' A' ' 31' ' ' LEU . 0.1 OUTLIER -114.09 -0.09 14.12 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.736 1.614 . . . . 1.0 110.23 175.822 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.9 m 62.55 24.49 14.58 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.784 1.234 . . . . 1.0 110.637 -176.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.773 ' HB3' HG23 ' A' ' 28' ' ' ILE . 1.5 tmt_? -43.93 101.48 0.25 Allowed Pre-proline 0 N--CA 1.478 0.944 0 C-N-CA 125.717 1.607 . . . . 1.0 110.566 -168.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -77.98 71.12 6.77 Favored 'Trans proline' 0 N--CA 1.455 -0.768 0 C-N-CA 122.918 2.412 . . . . 1.0 108.657 -173.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.72 115.21 3.19 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 125.563 1.545 . . . . 1.0 108.334 177.31 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 57.71 177.25 0.05 Allowed 'General case' 0 CA--C 1.548 0.882 0 CA-C-O 124.173 1.94 . . . . 1.0 113.863 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.714 0 O-C-N 117.633 -3.167 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.538 ' HB3' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.478 0.957 0 CA-C-O 116.953 -1.499 . . . . 1.0 111.704 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.538 ' HD3' ' HB3' ' A' ' 1' ' ' ALA . 36.3 Cg_endo -73.54 -48.01 0.27 Allowed 'Trans proline' 0 C--N 1.354 0.868 0 C-N-CA 122.061 1.84 . . . . 1.0 112.296 -179.249 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.0 mp -89.4 120.66 30.93 Favored 'General case' 0 C--O 1.232 0.138 0 C-N-CA 124.436 1.094 . . . . 1.0 109.132 175.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 53.58 89.15 0.11 Allowed Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 125.977 1.711 . . . . 1.0 111.893 -176.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -71.65 81.07 1.35 Allowed 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 122.725 2.284 . . . . 1.0 110.939 179.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -69.58 105.61 2.73 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.328 1.051 . . . . 1.0 110.774 178.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -155.16 90.47 2.97 Favored Pre-proline 0 CA--C 1.543 0.689 0 C-N-CA 124.215 1.006 . . . . 1.0 109.63 -178.283 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -75.21 78.84 2.85 Favored 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 123.26 2.64 . . . . 1.0 109.92 174.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -142.21 -177.8 17.64 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 126.92 2.2 . . . . 1.0 110.775 175.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.3 p30 -164.65 171.84 13.89 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 127.39 2.276 . . . . 1.0 108.19 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 23.9 t30 53.55 84.96 0.05 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.531 1.532 . . . . 1.0 113.694 175.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -135.87 -179.07 5.43 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.08 0.952 . . . . 1.0 110.578 -179.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 47.4 p -47.76 152.54 1.28 Allowed Pre-proline 0 CA--C 1.543 0.696 0 C-N-CA 125.069 1.348 . . . . 1.0 111.907 173.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -74.76 55.57 3.86 Favored 'Trans proline' 0 CA--C 1.544 0.989 0 C-N-CA 123.722 2.948 . . . . 1.0 111.747 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -94.77 -104.5 0.14 Allowed 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 127.104 2.162 . . . . 1.0 109.02 176.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 48.7 tp60 -66.5 -34.99 79.15 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 120.498 -1.377 . . . . 1.0 112.0 -175.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -58.46 -23.02 56.57 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 118.261 -0.876 . . . . 1.0 112.413 174.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.79 -31.13 62.36 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 119.62 1.1 . . . . 1.0 112.411 175.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -65.32 0.7 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.664 1.185 . . . . 1.0 111.032 172.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -55.32 -40.92 71.73 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.224 1.01 . . . . 1.0 113.301 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.57 -48.89 79.87 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.818 0.847 . . . . 1.0 111.678 173.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.42 -30.11 71.29 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 118.475 -0.774 . . . . 1.0 112.502 174.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -66.86 -49.15 66.6 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.923 1.289 . . . . 1.0 111.22 171.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.5 tp -53.25 -45.84 68.93 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 123.573 0.749 . . . . 1.0 111.238 178.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.65 -39.1 10.73 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 118.861 0.755 . . . . 1.0 112.441 173.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.63 -47.37 22.46 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.583 1.153 . . . . 1.0 109.623 179.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -51.83 -38.13 54.6 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.793 1.637 . . . . 1.0 112.82 175.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.537 HG23 ' HB3' ' A' ' 33' ' ' ARG . 89.6 mt -60.8 -54.57 33.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 125.285 1.434 . . . . 1.0 110.69 174.287 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -60.27 -34.05 73.19 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 118.445 0.566 . . . . 1.0 111.415 176.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 23.6 mmm -76.83 -12.9 60.04 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.483 1.913 . . . . 1.0 115.089 175.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.478 HD22 ' HB2' ' A' ' 33' ' ' ARG . 10.1 tt -108.55 -7.17 15.78 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.659 1.584 . . . . 1.0 110.633 175.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.6 m 57.68 25.66 12.03 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.968 1.307 . . . . 1.0 110.535 -174.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.537 ' HB3' HG23 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -47.29 101.08 0.25 Allowed Pre-proline 0 N--CA 1.476 0.833 0 C-N-CA 125.609 1.564 . . . . 1.0 109.959 -173.018 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -75.77 147.86 31.67 Favored 'Trans proline' 0 N--CA 1.443 -1.459 0 N-CA-C 108.625 -1.336 . . . . 1.0 108.625 -178.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 32.5 mtt-85 64.08 165.14 0.14 Allowed 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.285 1.834 . . . . 1.0 112.017 -176.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -101.14 -61.98 1.3 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.748 1.219 . . . . 1.0 109.169 175.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.557 0 O-C-N 118.612 -2.555 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.076 0 CA-C-O 117.646 -1.168 . . . . 1.0 109.908 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -76.88 -21.78 12.18 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 123.17 2.58 . . . . 1.0 113.901 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.15 99.58 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.895 1.278 . . . . 1.0 110.225 173.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -54.35 33.12 Favored Pre-proline 0 CA--C 1.544 0.713 0 C-N-CA 126.47 1.908 . . . . 1.0 112.75 174.357 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -71.85 -175.7 1.76 Allowed 'Trans proline' 0 C--N 1.355 0.874 0 C-N-CA 122.152 1.901 . . . . 1.0 111.338 172.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 49.13 32.19 3.96 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 125.408 1.483 . . . . 1.0 113.893 178.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.401 ' CG ' ' HD2' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -94.2 152.5 40.33 Favored Pre-proline 0 CA--C 1.54 0.589 0 C-N-CA 124.47 1.108 . . . . 1.0 111.717 -170.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.401 ' HD2' ' CG ' ' A' ' 7' ' ' TYR . 36.0 Cg_endo -71.75 138.6 32.08 Favored 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 122.201 1.934 . . . . 1.0 110.78 174.344 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.44 -170.31 23.8 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 125.687 1.613 . . . . 1.0 112.472 176.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -122.13 76.02 1.27 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.719 1.207 . . . . 1.0 111.187 -174.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -160.41 89.2 0.82 Allowed 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.642 0.777 . . . . 1.0 111.215 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.97 -178.72 7.44 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.305 0.642 . . . . 1.0 110.387 175.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 37.4 p -50.18 148.82 5.74 Favored Pre-proline 0 CA--C 1.54 0.581 0 C-N-CA 125.236 1.414 . . . . 1.0 112.429 177.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -67.93 -10.47 28.94 Favored 'Trans proline' 0 CA--C 1.537 0.671 0 C-N-CA 122.443 2.095 . . . . 1.0 112.889 -177.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -80.38 -18.58 48.54 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.46 1.104 . . . . 1.0 113.633 169.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -94.46 -48.79 5.97 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 119.081 0.855 . . . . 1.0 110.804 -175.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.47 -24.42 65.24 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 122.879 0.472 . . . . 1.0 111.85 175.409 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.55 -32.4 50.54 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.564 1.146 . . . . 1.0 112.874 174.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.47 -58.12 3.81 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.96 1.304 . . . . 1.0 111.394 175.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -57.28 -41.17 79.24 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.637 0.606 . . . . 1.0 112.637 176.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.02 -43.58 95.19 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.809 0.844 . . . . 1.0 112.058 174.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.73 -14.82 63.01 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.808 1.04 . . . . 1.0 113.808 171.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -84.01 -42.4 16.23 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.456 1.103 . . . . 1.0 110.901 167.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.96 -42.57 76.43 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.086 0.954 . . . . 1.0 112.644 179.604 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.4 ttt180 -49.68 -43.32 47.22 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.618 0.767 . . . . 1.0 112.393 172.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -75.39 -47.28 28.21 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.547 1.139 . . . . 1.0 109.468 -178.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -52.12 -43.27 63.89 Favored 'General case' 0 C--O 1.221 -0.416 0 C-N-CA 125.282 1.433 . . . . 1.0 111.606 176.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 31.7 mt -54.36 -56.89 7.75 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 C-N-CA 125.875 1.67 . . . . 1.0 112.071 174.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -58.59 -39.9 81.66 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.067 0.547 . . . . 1.0 110.659 177.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 79.1 mtp -70.31 -8.6 51.68 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.716 1.606 . . . . 1.0 115.27 173.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.27 -0.97 16.24 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.247 1.419 . . . . 1.0 111.694 176.273 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.7 m 54.4 25.9 6.5 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.493 1.517 . . . . 1.0 111.803 -177.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -126.62 83.25 65.33 Favored Pre-proline 0 CA--C 1.537 0.454 0 C-N-CA 124.927 1.291 . . . . 1.0 110.937 -173.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -65.12 145.7 85.25 Favored 'Trans proline' 0 N--CA 1.455 -0.751 0 C-N-CA 122.359 2.039 . . . . 1.0 111.186 -178.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.41 127.71 32.45 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 108.849 -0.797 . . . . 1.0 108.849 175.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 58.9 t80 53.35 83.3 0.07 Allowed 'General case' 0 CA--C 1.547 0.829 0 CA-C-O 123.99 1.852 . . . . 1.0 112.445 178.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.556 0 O-C-N 117.734 -3.104 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.971 0 N-CA-C 109.181 -0.674 . . . . 1.0 109.181 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -72.2 159.03 50.77 Favored 'Trans proline' 0 CA--C 1.536 0.594 0 C-N-CA 122.665 2.244 . . . . 1.0 111.138 176.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.28 111.31 7.01 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.011 0.924 . . . . 1.0 110.603 -177.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -143.58 77.71 15.04 Favored Pre-proline 0 CA--C 1.545 0.77 0 C-N-CA 125.171 1.388 . . . . 1.0 110.035 -178.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -74.87 137.86 22.6 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 123.191 2.594 . . . . 1.0 110.179 176.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 52.79 89.05 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.347 1.459 . . . . 1.0 112.291 -176.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -116.5 74.28 6.07 Favored Pre-proline 0 CA--C 1.55 0.974 0 C-N-CA 125.619 1.568 . . . . 1.0 111.048 -176.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -73.17 111.61 3.32 Favored 'Trans proline' 0 CA--C 1.537 0.65 0 C-N-CA 122.37 2.047 . . . . 1.0 111.079 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 121.19 112.53 2.25 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 125.523 1.535 . . . . 1.0 111.719 -178.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -99.66 95.87 7.25 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.912 0.885 . . . . 1.0 110.494 177.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 27.9 p-10 -168.0 75.54 0.13 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.512 1.125 . . . . 1.0 111.625 -176.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -124.32 164.68 19.09 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.305 0.574 . . . . 1.0 110.89 176.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 42.9 p -53.46 150.57 12.13 Favored Pre-proline 0 CA--C 1.54 0.571 0 C-N-CA 124.696 1.198 . . . . 1.0 111.197 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -68.37 -8.7 23.76 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 121.9 1.733 . . . . 1.0 112.798 -177.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -80.91 -22.4 39.76 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.587 1.555 . . . . 1.0 113.17 170.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -76.49 -55.01 5.92 Favored 'General case' 0 C--N 1.345 0.392 0 CA-C-N 119.177 0.899 . . . . 1.0 109.959 -176.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.5 -24.09 67.5 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.999 0.92 . . . . 1.0 112.253 176.361 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.33 -32.26 48.2 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.851 0.86 . . . . 1.0 112.517 174.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -62.83 1.41 Allowed 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.003 1.321 . . . . 1.0 111.226 177.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -52.45 -37.11 56.14 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.155 0.982 . . . . 1.0 112.899 176.558 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.1 -48.05 83.49 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.439 1.095 . . . . 1.0 112.082 173.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.24 -27.05 68.73 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.594 0.757 . . . . 1.0 112.646 174.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -74.58 -40.84 61.38 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.807 1.643 . . . . 1.0 111.64 172.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.62 -46.57 83.96 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 124.008 0.923 . . . . 1.0 111.851 178.314 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -47.75 -38.95 16.55 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 118.765 0.711 . . . . 1.0 112.471 172.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -76.74 -46.85 23.73 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.695 1.198 . . . . 1.0 109.943 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -52.77 -46.29 67.5 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 125.113 1.365 . . . . 1.0 111.709 176.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.558 HG23 ' HB3' ' A' ' 33' ' ' ARG . 97.0 mt -53.68 -53.38 26.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 125.574 1.55 . . . . 1.0 111.336 177.428 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -57.93 -47.82 81.72 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.756 0.822 . . . . 1.0 110.482 176.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 83.7 mtp -64.89 -6.5 8.45 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 115.181 1.549 . . . . 1.0 115.181 174.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.51 -4.59 17.12 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 127.492 2.317 . . . . 1.0 110.229 173.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.4 m 55.52 26.13 8.68 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.859 1.264 . . . . 1.0 111.149 -174.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.558 ' HB3' HG23 ' A' ' 28' ' ' ILE . 1.1 ttt85 -45.15 100.46 0.23 Allowed Pre-proline 0 N--CA 1.476 0.827 0 C-N-CA 126.03 1.732 . . . . 1.0 111.946 -168.139 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -77.37 81.14 2.72 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 122.514 2.143 . . . . 1.0 111.565 -169.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -94.28 -24.15 17.56 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 123.944 0.898 . . . . 1.0 113.103 179.488 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 54.8 p90 -127.18 160.06 32.37 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 126.259 1.824 . . . . 1.0 110.537 -175.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.667 0 O-C-N 119.444 -2.035 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.574 ' HB3' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.478 0.967 0 CA-C-O 117.322 -1.323 . . . . 1.0 111.675 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.574 ' HD3' ' HB3' ' A' ' 1' ' ' ALA . 30.4 Cg_endo -73.2 -41.17 1.37 Allowed 'Trans proline' 0 C--N 1.354 0.847 0 C-N-CA 121.744 1.629 . . . . 1.0 112.222 -179.442 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -100.44 107.83 19.67 Favored 'General case' 0 C--O 1.232 0.133 0 C-N-CA 124.739 1.216 . . . . 1.0 109.326 179.569 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 66.38 152.52 0.12 Allowed Pre-proline 0 CA--C 1.551 0.997 0 C-N-CA 126.462 1.905 . . . . 1.0 112.576 -176.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -71.61 143.29 41.94 Favored 'Trans proline' 0 N--CA 1.456 -0.731 0 C-N-CA 121.603 1.535 . . . . 1.0 110.754 176.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -94.87 87.58 5.03 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.473 1.109 . . . . 1.0 110.326 176.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 28.6 p90 -114.15 87.34 13.03 Favored Pre-proline 0 CA--C 1.545 0.764 0 C-N-CA 124.164 0.986 . . . . 1.0 109.849 -179.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -73.17 -2.21 11.72 Favored 'Trans proline' 0 CA--C 1.545 1.068 0 C-N-CA 122.065 1.844 . . . . 1.0 113.082 175.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -174.19 -110.77 0.26 Allowed Glycine 0 CA--C 1.53 0.992 0 C-N-CA 125.771 1.653 . . . . 1.0 110.834 175.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -127.86 81.77 2.04 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 126.56 1.944 . . . . 1.0 111.503 -172.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -169.23 79.33 0.12 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.129 0.972 . . . . 1.0 111.345 -175.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.83 80.96 8.32 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 108.371 -0.974 . . . . 1.0 108.371 171.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 41.3 p -48.64 152.66 1.62 Allowed Pre-proline 0 CA--C 1.541 0.61 0 C-N-CA 125.029 1.332 . . . . 1.0 111.212 174.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -74.76 53.67 3.3 Favored 'Trans proline' 0 CA--C 1.545 1.068 0 C-N-CA 123.365 2.71 . . . . 1.0 111.981 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.04 -19.23 18.88 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.255 1.822 . . . . 1.0 112.429 175.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -125.26 -48.94 1.7 Allowed 'General case' 0 C--N 1.342 0.26 0 C-N-CA 125.476 1.511 . . . . 1.0 111.196 -179.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -25.38 62.23 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 121.884 -0.51 . . . . 1.0 112.32 176.187 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.6 -30.01 40.36 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.104 0.962 . . . . 1.0 113.223 173.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -58.23 3.44 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.314 1.046 . . . . 1.0 111.489 174.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -56.78 -41.62 78.0 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.188 0.995 . . . . 1.0 112.757 177.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.77 -46.34 90.83 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.397 1.079 . . . . 1.0 111.732 174.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.69 -21.36 62.79 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 118.332 -0.842 . . . . 1.0 112.734 172.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -76.29 -48.69 19.24 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.296 1.438 . . . . 1.0 111.633 172.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.61 -40.91 69.37 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.361 0.664 . . . . 1.0 112.365 178.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.14 -43.0 41.29 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.571 0.748 . . . . 1.0 112.092 172.103 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.71 -46.34 31.64 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.799 1.24 . . . . 1.0 109.481 -179.096 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -52.01 -42.44 63.01 Favored 'General case' 0 C--O 1.218 -0.555 0 C-N-CA 124.976 1.31 . . . . 1.0 111.255 176.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 26.0 mt -55.19 -56.23 12.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 C-N-CA 125.625 1.57 . . . . 1.0 112.222 175.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -58.65 -37.26 75.57 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 122.855 0.462 . . . . 1.0 110.553 176.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.4 mmm -73.62 -7.89 53.77 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.948 1.699 . . . . 1.0 115.002 174.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.28 -0.46 13.87 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.58 1.552 . . . . 1.0 111.632 177.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.7 m 55.07 22.83 4.74 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.764 1.626 . . . . 1.0 111.723 -178.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.8 ttp180 -124.87 83.25 59.81 Favored Pre-proline 0 C--O 1.238 0.484 0 C-N-CA 125.038 1.335 . . . . 1.0 110.591 -173.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -62.68 161.84 27.01 Favored 'Trans proline' 0 N--CA 1.451 -0.971 0 C-N-CA 122.445 2.097 . . . . 1.0 111.375 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.9 ptt-85 -56.78 126.11 25.43 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.612 0.765 . . . . 1.0 110.028 174.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -65.14 104.54 0.92 Allowed 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 122.384 1.088 . . . . 1.0 111.401 -178.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.638 0 O-C-N 118.919 -2.363 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.574 ' HB3' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.478 0.967 0 CA-C-O 117.322 -1.323 . . . . 1.0 111.675 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.574 ' HD3' ' HB3' ' A' ' 1' ' ' ALA . 30.4 Cg_endo -73.2 -41.17 1.37 Allowed 'Trans proline' 0 C--N 1.354 0.847 0 C-N-CA 121.744 1.629 . . . . 1.0 112.222 -179.442 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -100.44 107.83 19.67 Favored 'General case' 0 C--O 1.232 0.133 0 C-N-CA 124.739 1.216 . . . . 1.0 109.326 179.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 66.38 152.52 0.12 Allowed Pre-proline 0 CA--C 1.551 0.997 0 C-N-CA 126.462 1.905 . . . . 1.0 112.576 -176.443 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -71.61 143.29 41.94 Favored 'Trans proline' 0 N--CA 1.456 -0.731 0 C-N-CA 121.603 1.535 . . . . 1.0 110.754 176.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -94.87 87.58 5.03 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.473 1.109 . . . . 1.0 110.326 176.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 28.6 p90 -114.15 87.34 13.03 Favored Pre-proline 0 CA--C 1.545 0.764 0 C-N-CA 124.164 0.986 . . . . 1.0 109.849 -179.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -73.17 -2.21 11.72 Favored 'Trans proline' 0 CA--C 1.545 1.068 0 C-N-CA 122.065 1.844 . . . . 1.0 113.082 175.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -174.19 -110.77 0.26 Allowed Glycine 0 CA--C 1.53 0.992 0 C-N-CA 125.771 1.653 . . . . 1.0 110.834 175.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -127.86 81.77 2.04 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 126.56 1.944 . . . . 1.0 111.503 -172.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -169.23 79.33 0.12 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.129 0.972 . . . . 1.0 111.345 -175.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.83 80.96 8.32 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 108.371 -0.974 . . . . 1.0 108.371 171.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 41.3 p -48.64 152.66 1.62 Allowed Pre-proline 0 CA--C 1.541 0.61 0 C-N-CA 125.029 1.332 . . . . 1.0 111.212 174.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -74.76 53.67 3.3 Favored 'Trans proline' 0 CA--C 1.545 1.068 0 C-N-CA 123.365 2.71 . . . . 1.0 111.981 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.04 -19.23 18.88 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.255 1.822 . . . . 1.0 112.429 175.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -125.26 -48.94 1.7 Allowed 'General case' 0 C--N 1.342 0.26 0 C-N-CA 125.476 1.511 . . . . 1.0 111.196 -179.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -25.38 62.23 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 121.884 -0.51 . . . . 1.0 112.32 176.187 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.6 -30.01 40.36 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.104 0.962 . . . . 1.0 113.223 173.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -58.23 3.44 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.314 1.046 . . . . 1.0 111.489 174.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -56.78 -41.62 78.0 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.188 0.995 . . . . 1.0 112.757 177.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.77 -46.34 90.83 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.397 1.079 . . . . 1.0 111.732 174.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.69 -21.36 62.79 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 118.332 -0.842 . . . . 1.0 112.734 172.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -76.29 -48.69 19.24 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.296 1.438 . . . . 1.0 111.633 172.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.61 -40.91 69.37 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.361 0.664 . . . . 1.0 112.365 178.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.14 -43.0 41.29 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.571 0.748 . . . . 1.0 112.092 172.103 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.71 -46.34 31.64 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.799 1.24 . . . . 1.0 109.481 -179.096 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -52.01 -42.44 63.01 Favored 'General case' 0 C--O 1.218 -0.555 0 C-N-CA 124.976 1.31 . . . . 1.0 111.255 176.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 26.0 mt -55.19 -56.23 12.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 C-N-CA 125.625 1.57 . . . . 1.0 112.222 175.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -58.65 -37.26 75.57 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 122.855 0.462 . . . . 1.0 110.553 176.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.4 mmm -73.62 -7.89 53.77 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.948 1.699 . . . . 1.0 115.002 174.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.28 -0.46 13.87 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.58 1.552 . . . . 1.0 111.632 177.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.7 m 55.07 22.83 4.74 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.764 1.626 . . . . 1.0 111.723 -178.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.8 ttp180 -124.87 83.25 59.81 Favored Pre-proline 0 C--O 1.238 0.484 0 C-N-CA 125.038 1.335 . . . . 1.0 110.591 -173.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -62.68 161.84 27.01 Favored 'Trans proline' 0 N--CA 1.451 -0.971 0 C-N-CA 122.445 2.097 . . . . 1.0 111.375 179.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.9 ptt-85 -56.78 126.11 25.43 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.612 0.765 . . . . 1.0 110.028 174.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -65.14 104.54 0.92 Allowed 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 122.384 1.088 . . . . 1.0 111.401 -178.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.638 0 O-C-N 118.919 -2.363 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.554 ' HB3' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.478 0.941 0 CA-C-O 117.053 -1.451 . . . . 1.0 112.012 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.554 ' HD3' ' HB3' ' A' ' 1' ' ' ALA . 36.8 Cg_endo -73.16 -40.36 1.73 Allowed 'Trans proline' 0 C--N 1.355 0.888 0 CA-C-N 121.559 1.592 . . . . 1.0 112.331 -178.379 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 tt -101.56 107.2 18.41 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 124.751 1.22 . . . . 1.0 109.341 179.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 66.73 151.95 0.12 Allowed Pre-proline 0 CA--C 1.552 1.044 0 C-N-CA 126.877 2.071 . . . . 1.0 112.571 -176.306 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -71.64 142.54 40.17 Favored 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 121.594 1.529 . . . . 1.0 110.87 177.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -93.26 87.76 5.77 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.095 0.958 . . . . 1.0 110.604 176.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 29.5 p90 -114.1 87.47 13.15 Favored Pre-proline 0 CA--C 1.546 0.804 0 C-N-CA 124.258 1.023 . . . . 1.0 110.265 -179.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -73.46 -2.65 12.45 Favored 'Trans proline' 0 CA--C 1.546 1.101 0 C-N-CA 122.27 1.98 . . . . 1.0 113.141 174.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -173.73 -110.9 0.26 Allowed Glycine 0 CA--C 1.53 0.973 0 C-N-CA 125.797 1.665 . . . . 1.0 110.869 174.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -127.08 78.13 1.79 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.657 1.983 . . . . 1.0 111.309 -171.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -165.6 75.73 0.23 Allowed 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.185 0.994 . . . . 1.0 112.343 -175.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.91 82.89 7.39 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.112 -0.992 . . . . 1.0 109.293 170.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 45.8 p -50.95 153.48 3.01 Favored Pre-proline 0 CA--C 1.542 0.638 0 C-N-CA 125.001 1.32 . . . . 1.0 111.336 174.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -75.26 53.76 3.55 Favored 'Trans proline' 0 CA--C 1.545 1.075 0 C-N-CA 123.175 2.583 . . . . 1.0 111.974 179.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.62 -20.09 18.56 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.125 1.77 . . . . 1.0 112.622 175.195 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -124.37 -48.96 1.81 Allowed 'General case' 0 C--N 1.343 0.285 0 C-N-CA 125.646 1.578 . . . . 1.0 111.213 -179.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.5 -25.14 62.05 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 121.802 -0.561 . . . . 1.0 112.357 176.426 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.6 -30.88 44.61 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.102 0.961 . . . . 1.0 113.324 172.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.98 -57.18 4.23 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.168 0.987 . . . . 1.0 111.375 174.445 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -57.82 -41.73 82.85 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.957 0.903 . . . . 1.0 112.811 177.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.64 -46.14 91.44 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.548 1.139 . . . . 1.0 111.793 174.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.05 -22.59 64.72 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 118.15 -0.929 . . . . 1.0 112.704 172.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -74.72 -48.75 24.1 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.918 1.287 . . . . 1.0 111.78 171.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.44 -40.72 68.62 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.332 0.653 . . . . 1.0 112.483 179.083 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.61 -42.67 45.43 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.664 0.786 . . . . 1.0 112.232 171.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.05 -45.94 31.7 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.564 1.145 . . . . 1.0 109.498 -179.236 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -52.14 -42.91 63.74 Favored 'General case' 0 C--O 1.219 -0.535 0 C-N-CA 125.031 1.332 . . . . 1.0 111.315 175.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 24.2 mt -54.31 -55.77 13.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 125.613 1.565 . . . . 1.0 112.26 174.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -59.19 -39.46 82.64 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.08 0.552 . . . . 1.0 110.44 177.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.7 mmm -71.13 -9.1 57.5 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.985 1.714 . . . . 1.0 115.201 174.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.95 -0.14 14.9 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.615 1.566 . . . . 1.0 111.845 177.494 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.7 m 55.03 22.75 4.64 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.965 1.706 . . . . 1.0 112.016 -178.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.5 ttp180 -125.18 83.55 60.6 Favored Pre-proline 0 C--O 1.238 0.479 0 C-N-CA 124.941 1.296 . . . . 1.0 110.711 -172.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -62.97 162.24 26.54 Favored 'Trans proline' 0 N--CA 1.453 -0.898 0 C-N-CA 122.502 2.135 . . . . 1.0 111.726 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.3 ptt-85 -57.05 126.1 25.65 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.931 0.892 . . . . 1.0 110.179 175.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -66.27 104.2 1.15 Allowed 'General case' 0 CA--C 1.54 0.566 0 CA-C-O 122.319 1.057 . . . . 1.0 111.573 -176.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.635 0 O-C-N 118.902 -2.374 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.461 ' HB3' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.479 1.01 0 CA-C-O 116.43 -1.748 . . . . 1.0 112.92 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.461 ' HD3' ' HB3' ' A' ' 1' ' ' ALA . 57.1 Cg_endo -74.22 45.76 1.24 Allowed 'Trans proline' 0 CA--C 1.55 1.303 0 C-N-CA 123.884 3.056 . . . . 1.0 114.147 179.608 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -159.16 168.55 26.28 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 127.202 2.201 . . . . 1.0 110.757 -177.398 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -164.6 78.59 1.41 Allowed Pre-proline 0 CA--C 1.548 0.867 0 C-N-CA 124.095 0.958 . . . . 1.0 109.307 171.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -71.98 -3.27 12.91 Favored 'Trans proline' 0 CA--C 1.542 0.886 0 C-N-CA 122.536 2.157 . . . . 1.0 113.69 178.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 55.74 169.48 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 128.098 2.559 . . . . 1.0 113.563 -169.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -157.34 87.25 2.65 Favored Pre-proline 0 CA--C 1.542 0.641 0 O-C-N 121.326 -0.859 . . . . 1.0 109.975 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -73.57 133.85 19.5 Favored 'Trans proline' 0 CA--C 1.537 0.668 0 C-N-CA 122.146 1.897 . . . . 1.0 111.199 176.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.72 159.38 19.49 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 125.555 1.55 . . . . 1.0 113.226 -178.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -105.19 83.71 2.01 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.097 1.359 . . . . 1.0 109.414 -176.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -168.21 96.99 0.42 Allowed 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.567 1.147 . . . . 1.0 110.351 178.205 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -154.38 173.47 16.17 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 123.119 0.568 . . . . 1.0 109.976 171.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 38.0 p -53.16 151.09 9.78 Favored Pre-proline 0 CA--C 1.542 0.646 0 C-N-CA 125.013 1.325 . . . . 1.0 111.674 175.08 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -68.61 -10.66 29.71 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 122.181 1.921 . . . . 1.0 112.751 -177.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -81.36 -18.74 44.56 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.843 1.257 . . . . 1.0 113.283 171.203 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -90.29 -54.74 3.88 Favored 'General case' 0 C--N 1.344 0.336 0 CA-C-N 118.801 0.728 . . . . 1.0 110.435 -178.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -22.04 66.39 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.712 0.634 . . . . 1.0 112.712 178.292 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.03 -34.22 63.33 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.433 1.093 . . . . 1.0 112.788 173.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -54.57 23.47 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.3 1.04 . . . . 1.0 110.984 175.586 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -58.19 -44.56 88.11 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.292 1.037 . . . . 1.0 112.685 175.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.34 -44.73 92.62 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.677 0.791 . . . . 1.0 112.022 175.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.85 -40.84 85.48 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 118.66 -0.686 . . . . 1.0 111.591 172.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -59.57 -42.7 93.08 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.836 0.744 . . . . 1.0 112.13 173.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.67 -47.01 80.76 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.363 1.065 . . . . 1.0 112.092 178.205 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -49.96 -37.42 32.17 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 118.823 0.738 . . . . 1.0 112.279 173.431 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.5 mtm180 -77.0 -49.28 15.77 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.117 0.967 . . . . 1.0 109.999 179.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -49.92 -40.79 44.5 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.519 1.528 . . . . 1.0 111.044 174.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.672 HG23 ' HB3' ' A' ' 33' ' ' ARG . 34.7 mt -55.57 -59.7 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 C-N-CA 126.128 1.771 . . . . 1.0 112.125 174.024 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -60.27 -27.94 67.67 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 118.161 0.437 . . . . 1.0 111.283 177.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 9.2 tpp -81.21 -12.67 59.1 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.472 1.509 . . . . 1.0 114.659 175.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -113.51 -1.03 14.22 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.708 1.603 . . . . 1.0 111.423 178.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 30.3 m 64.3 28.38 13.81 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.432 1.893 . . . . 1.0 111.492 -175.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.672 ' HB3' HG23 ' A' ' 28' ' ' ILE . 0.5 OUTLIER -49.58 99.16 0.21 Allowed Pre-proline 0 N--CA 1.482 1.147 0 C-N-CA 125.263 1.425 . . . . 1.0 111.961 -167.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -72.41 125.01 10.34 Favored 'Trans proline' 0 N--CA 1.448 -1.194 0 C-N-CA 121.575 1.517 . . . . 1.0 108.578 -173.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.1 ttp-105 -125.36 136.76 53.78 Favored 'General case' 0 CA--C 1.522 -0.127 0 C-N-CA 124.251 1.02 . . . . 1.0 109.152 -179.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 60.2 178.68 0.09 Allowed 'General case' 0 CA--C 1.547 0.843 0 CA-C-O 122.806 1.289 . . . . 1.0 112.994 -178.31 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.68 0 O-C-N 118.65 -2.531 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.585 ' HB1' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.479 1.008 0 CA-C-O 117.211 -1.376 . . . . 1.0 109.26 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.585 ' HD2' ' HB1' ' A' ' 1' ' ' ALA . 21.6 Cg_endo -68.87 -42.15 4.76 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.257 1.972 . . . . 1.0 111.581 -179.335 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.2 mm? 58.03 178.35 0.06 Allowed 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.547 1.539 . . . . 1.0 112.098 -172.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -126.83 162.89 44.66 Favored Pre-proline 0 CA--C 1.542 0.667 0 C-N-CA 123.364 0.666 . . . . 1.0 111.804 177.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -76.72 15.79 1.03 Allowed 'Trans proline' 0 CA--C 1.54 0.816 0 C-N-CA 124.483 3.455 . . . . 1.0 112.485 174.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.57 -179.25 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 122.514 1.149 . . . . 1.0 112.64 169.218 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -48.13 145.28 5.24 Favored Pre-proline 0 CA--C 1.547 0.833 0 C-N-CA 123.732 0.813 . . . . 1.0 113.159 177.729 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -69.77 160.81 48.31 Favored 'Trans proline' 0 N--CA 1.456 -0.693 0 C-N-CA 122.019 1.812 . . . . 1.0 111.182 178.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 146.02 58.7 0.02 OUTLIER Glycine 0 CA--C 1.525 0.682 0 C-N-CA 122.849 0.261 . . . . 1.0 113.021 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.2 p30 -164.07 173.67 12.23 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.989 1.716 . . . . 1.0 110.216 -178.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -153.79 81.64 1.16 Allowed 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.429 1.492 . . . . 1.0 107.617 171.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.89 146.4 28.89 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 109.022 -0.732 . . . . 1.0 109.022 169.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.4 p -50.47 155.04 1.94 Allowed Pre-proline 0 CA--C 1.542 0.657 0 C-N-CA 125.011 1.324 . . . . 1.0 111.717 176.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -74.32 50.43 2.28 Favored 'Trans proline' 0 CA--C 1.547 1.127 0 C-N-CA 123.458 2.772 . . . . 1.0 112.344 -179.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.82 -22.12 17.68 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.584 1.953 . . . . 1.0 112.451 175.026 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -124.9 -47.55 1.8 Allowed 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 125.18 1.392 . . . . 1.0 110.653 -178.431 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -21.82 61.12 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 113.147 0.795 . . . . 1.0 113.147 174.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.58 -29.04 35.51 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.896 0.878 . . . . 1.0 113.08 172.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -73.41 -59.26 2.79 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.856 1.263 . . . . 1.0 111.298 174.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -56.3 -43.29 78.77 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.075 0.95 . . . . 1.0 113.104 176.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.56 -41.68 99.06 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.48 -0.762 . . . . 1.0 111.675 178.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.82 -28.82 66.38 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 118.169 -0.92 . . . . 1.0 112.462 171.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -74.7 -43.37 55.47 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.887 1.275 . . . . 1.0 111.564 172.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.45 -40.76 83.5 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.06 0.944 . . . . 1.0 112.207 179.504 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.59 -34.48 58.55 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.598 0.759 . . . . 1.0 112.889 171.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.9 mtt-85 -77.56 -44.65 27.83 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.212 1.005 . . . . 1.0 109.54 177.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -51.68 -48.2 63.57 Favored 'General case' 0 C--O 1.217 -0.622 0 C-N-CA 125.008 1.323 . . . . 1.0 111.399 175.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 53.8 mt -49.49 -54.65 6.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 125.504 1.522 . . . . 1.0 111.754 176.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -60.48 -39.25 86.99 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 122.851 0.46 . . . . 1.0 111.306 177.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 85.4 mtp -73.26 -10.08 59.39 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.453 1.501 . . . . 1.0 114.936 174.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -105.52 -8.1 18.25 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 127.614 2.366 . . . . 1.0 110.317 177.083 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.7 m 57.56 20.98 6.65 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.731 1.212 . . . . 1.0 111.497 -174.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.09 149.98 17.25 Favored Pre-proline 0 C--N 1.346 0.423 0 C-N-CA 124.805 1.242 . . . . 1.0 111.895 -178.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -73.49 179.5 5.49 Favored 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 123.445 2.763 . . . . 1.0 112.285 174.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -154.83 86.15 1.12 Allowed 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.7 0.8 . . . . 1.0 110.908 178.455 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 61.27 84.0 0.14 Allowed 'General case' 0 CA--C 1.546 0.807 0 CA-C-O 123.801 1.763 . . . . 1.0 112.884 175.415 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.7 0 O-C-N 117.7 -3.125 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.082 0 CA-C-O 117.528 -1.225 . . . . 1.0 109.865 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -72.88 -89.38 0.0 OUTLIER 'Trans proline' 0 CA--C 1.537 0.654 0 C-N-CA 123.25 2.633 . . . . 1.0 110.795 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -162.26 131.62 4.42 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 126.518 1.927 . . . . 1.0 107.39 176.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -146.6 157.9 47.29 Favored Pre-proline 0 CA--C 1.539 0.526 0 C-N-CA 123.593 0.757 . . . . 1.0 109.785 175.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -75.75 0.7 8.9 Favored 'Trans proline' 0 CA--C 1.542 0.884 0 C-N-CA 123.093 2.529 . . . . 1.0 113.855 173.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 63.99 89.17 0.09 Allowed 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 127.341 2.256 . . . . 1.0 113.145 178.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -142.91 74.85 18.05 Favored Pre-proline 0 CA--C 1.542 0.64 0 CA-C-N 115.775 -0.648 . . . . 1.0 111.383 -172.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -72.04 143.16 39.85 Favored 'Trans proline' 0 N--CA 1.456 -0.688 0 C-N-CA 122.038 1.825 . . . . 1.0 110.878 178.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 156.96 -170.53 34.3 Favored Glycine 0 CA--C 1.525 0.705 0 C-N-CA 124.784 1.183 . . . . 1.0 110.381 -174.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -164.57 80.8 0.38 Allowed 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.579 0.751 . . . . 1.0 110.525 178.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -168.68 101.19 0.4 Allowed 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.421 -0.8 . . . . 1.0 110.282 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -162.73 -174.89 4.15 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.443 0.697 . . . . 1.0 109.7 177.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.0 p -42.57 150.49 0.42 Allowed Pre-proline 0 CA--C 1.541 0.631 0 C-N-CA 126.462 1.905 . . . . 1.0 112.989 172.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -66.83 -6.61 16.13 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.694 2.262 . . . . 1.0 113.466 -177.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -57.71 -18.85 23.29 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 127.121 2.168 . . . . 1.0 112.746 176.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -125.14 -37.79 2.38 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 124.937 1.295 . . . . 1.0 112.271 175.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.96 -28.93 59.22 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 118.584 -0.722 . . . . 1.0 112.411 175.018 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.5 -30.54 60.85 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 114.042 1.127 . . . . 1.0 114.042 171.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.0 -49.99 11.03 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.485 1.114 . . . . 1.0 110.564 177.534 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -58.82 -54.93 41.55 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-O 118.809 -0.615 . . . . 1.0 111.612 176.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -46.43 -39.19 10.16 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.54 1.536 . . . . 1.0 113.131 179.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.56 -70.78 0.11 Allowed 'General case' 0 C--N 1.343 0.295 0 CA-C-O 118.086 -0.959 . . . . 1.0 110.868 173.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.13 -38.78 58.57 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.548 0.739 . . . . 1.0 111.616 178.329 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.73 -50.74 72.79 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.698 1.599 . . . . 1.0 112.736 177.347 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.62 -39.21 57.62 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.312 0.645 . . . . 1.0 111.18 172.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.6 mtt180 -69.48 -49.06 58.3 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 118.165 -0.921 . . . . 1.0 110.027 176.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -49.07 -46.07 44.0 Favored 'General case' 0 C--O 1.222 -0.388 0 C-N-CA 127.447 2.299 . . . . 1.0 111.715 178.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 68.7 mt -54.59 -58.75 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 C-N-CA 124.804 1.242 . . . . 1.0 111.01 174.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -59.77 -35.08 73.89 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 121.896 -0.503 . . . . 1.0 111.936 177.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 14.1 mmm -72.69 -9.38 58.56 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 127.141 2.176 . . . . 1.0 114.657 174.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.24 -3.38 16.3 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.369 1.468 . . . . 1.0 110.943 176.539 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.3 m 55.48 23.13 5.61 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.514 1.526 . . . . 1.0 111.438 -178.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.85 144.89 16.77 Favored Pre-proline 0 CA--C 1.534 0.328 0 C-N-CA 124.222 1.009 . . . . 1.0 111.117 -176.785 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -72.42 179.11 5.38 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 C-N-CA 123.895 3.063 . . . . 1.0 111.789 174.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.25 89.22 0.76 Allowed 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 125.692 1.597 . . . . 1.0 109.306 -178.167 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 51.86 77.49 0.14 Allowed 'General case' 0 CA--C 1.547 0.85 0 CA-C-O 123.778 1.752 . . . . 1.0 113.8 173.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.685 0 O-C-N 118.36 -2.712 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.923 0 CA-C-O 118.769 -0.634 . . . . 1.0 109.514 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -78.73 73.64 5.85 Favored 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 122.581 2.187 . . . . 1.0 110.979 178.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -155.87 44.25 0.44 Allowed 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 113.738 1.014 . . . . 1.0 113.738 -177.149 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -154.14 157.7 32.4 Favored Pre-proline 0 CA--C 1.546 0.803 0 C-N-CA 124.244 1.018 . . . . 1.0 112.282 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -79.46 130.1 8.8 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 123.253 2.636 . . . . 1.0 111.898 174.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -98.25 77.36 2.39 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.286 1.434 . . . . 1.0 110.348 -179.149 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 29.4 t80 44.07 83.45 0.21 Allowed Pre-proline 0 CA--C 1.545 0.751 0 C-N-CA 125.751 1.62 . . . . 1.0 112.968 177.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -70.67 79.32 1.24 Allowed 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 123.335 2.69 . . . . 1.0 109.894 -178.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -72.19 -168.23 10.67 Favored Glycine 0 CA--C 1.525 0.666 0 C-N-CA 126.631 2.062 . . . . 1.0 111.187 172.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -153.25 175.07 13.48 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 123.581 0.753 . . . . 1.0 109.197 -179.654 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 53.39 74.26 0.32 Allowed 'General case' 0 CA--C 1.547 0.84 0 CA-C-O 122.382 1.087 . . . . 1.0 112.835 177.046 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -149.56 155.31 40.1 Favored 'General case' 0 C--O 1.234 0.26 0 O-C-N 121.319 -0.863 . . . . 1.0 109.187 173.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.1 p -58.08 155.79 23.24 Favored Pre-proline 0 CA--C 1.541 0.627 0 C-N-CA 123.8 0.84 . . . . 1.0 110.96 175.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -75.02 54.06 3.53 Favored 'Trans proline' 0 CA--C 1.546 1.107 0 C-N-CA 123.398 2.732 . . . . 1.0 112.274 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.04 -20.11 14.91 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.79 2.036 . . . . 1.0 112.399 176.24 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.63 -45.73 1.76 Allowed 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 125.147 1.379 . . . . 1.0 111.666 -179.748 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -37.74 80.06 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 122.97 0.508 . . . . 1.0 111.739 176.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.83 1.27 10.91 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.08 1.352 . . . . 1.0 114.166 174.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.51 -53.8 2.62 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 125.613 1.565 . . . . 1.0 109.864 177.278 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -61.59 -48.77 79.41 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-O 118.269 -0.872 . . . . 1.0 110.672 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -50.56 -37.52 40.08 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.473 0.916 . . . . 1.0 113.473 -179.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.64 -72.72 0.12 Allowed 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 117.824 -1.084 . . . . 1.0 111.485 172.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -50.49 -43.2 55.47 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.327 1.051 . . . . 1.0 111.047 -179.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.0 tp -51.8 -58.95 4.96 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 127.144 2.178 . . . . 1.0 111.651 173.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.71 -36.82 26.65 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.473 1.033 . . . . 1.0 111.844 177.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.1 mtp85 -73.5 -46.64 46.73 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.667 0.787 . . . . 1.0 110.379 177.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -46.56 -45.9 19.07 Favored 'General case' 0 C--O 1.219 -0.519 0 C-N-CA 126.63 1.972 . . . . 1.0 110.952 175.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.444 HG23 ' O ' ' A' ' 33' ' ' ARG . 4.1 mm -53.62 -50.74 48.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 125.103 1.361 . . . . 1.0 111.965 177.441 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -59.11 -49.76 76.64 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.431 0.692 . . . . 1.0 110.724 174.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -65.03 -12.02 45.8 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 115.263 1.579 . . . . 1.0 115.263 176.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 tp -97.46 -12.76 22.3 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 128.181 2.592 . . . . 1.0 110.849 174.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.9 m 56.09 25.44 8.98 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.694 1.198 . . . . 1.0 111.698 -176.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.444 ' O ' HG23 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -150.36 145.61 18.81 Favored Pre-proline 0 N--CA 1.465 0.324 0 CA-C-O 117.798 -1.096 . . . . 1.0 110.46 -176.232 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -71.35 -177.51 2.43 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 123.854 3.036 . . . . 1.0 112.01 176.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.1 ppt_? -125.8 156.9 38.79 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 125.528 1.531 . . . . 1.0 110.945 179.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -133.56 99.06 4.38 Favored 'General case' 0 C--O 1.222 -0.367 0 C-N-CA 124.767 1.227 . . . . 1.0 109.654 -178.457 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.661 0 O-C-N 119.691 -1.88 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.07 0 CA-C-O 117.939 -1.029 . . . . 1.0 110.028 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.428 ' C ' HD22 ' A' ' 3' ' ' LEU . 55.6 Cg_endo -76.82 93.73 1.06 Allowed 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 124.137 3.224 . . . . 1.0 111.639 -179.723 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.428 HD22 ' C ' ' A' ' 2' ' ' PRO . 3.9 mm? -129.06 153.13 47.92 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.976 1.71 . . . . 1.0 109.09 178.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 162.34 -59.88 0.0 OUTLIER Pre-proline 0 N--CA 1.479 0.976 0 C-N-CA 127.857 2.463 . . . . 1.0 110.497 -168.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -73.51 -5.62 17.4 Favored 'Trans proline' 0 C--N 1.357 0.998 0 C-N-CA 122.921 2.414 . . . . 1.0 113.792 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.63 146.96 16.83 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 127.954 2.501 . . . . 1.0 108.67 176.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.8 p90 -173.01 86.13 0.4 Allowed Pre-proline 0 CA--C 1.551 0.99 0 C-N-CA 126.362 1.865 . . . . 1.0 109.978 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -76.47 148.48 29.8 Favored 'Trans proline' 0 CA--C 1.539 0.757 0 C-N-CA 121.723 1.615 . . . . 1.0 111.91 176.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 76.14 149.85 2.89 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 125.055 1.312 . . . . 1.0 112.807 -173.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -156.57 79.57 0.95 Allowed 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.022 0.929 . . . . 1.0 110.228 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 21.2 p-10 -174.27 95.29 0.09 Allowed 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.976 1.311 . . . . 1.0 110.598 -175.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -142.43 170.78 15.06 Favored 'General case' 0 C--O 1.233 0.234 0 O-C-N 121.798 -0.564 . . . . 1.0 110.86 172.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 46.4 p -54.6 150.38 17.97 Favored Pre-proline 0 CA--C 1.538 0.503 0 C-N-CA 124.264 1.026 . . . . 1.0 111.415 177.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -69.28 -5.62 16.37 Favored 'Trans proline' 0 CA--C 1.536 0.607 0 C-N-CA 122.148 1.899 . . . . 1.0 112.766 -179.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -86.37 -16.85 36.04 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.788 1.235 . . . . 1.0 113.401 170.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -86.0 -52.72 5.52 Favored 'General case' 0 C--N 1.344 0.363 0 CA-C-N 119.066 0.848 . . . . 1.0 110.399 -177.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -21.87 66.84 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 112.595 0.591 . . . . 1.0 112.595 175.512 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.78 -34.42 59.04 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.154 0.982 . . . . 1.0 112.639 175.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -51.62 39.32 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.9 1.28 . . . . 1.0 111.991 176.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -60.19 -44.02 95.42 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.052 0.941 . . . . 1.0 111.652 175.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.65 -40.11 93.74 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.236 -0.915 . . . . 1.0 111.801 175.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.62 -17.06 64.48 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 113.664 0.987 . . . . 1.0 113.664 172.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -81.89 -44.99 16.09 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 119.808 1.186 . . . . 1.0 110.941 169.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.3 tp -55.41 -40.41 71.41 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.155 0.582 . . . . 1.0 112.542 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 60.6 ttt180 -52.02 -39.6 59.76 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.819 0.847 . . . . 1.0 113.012 171.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.2 mtt180 -77.12 -44.87 28.83 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.559 1.144 . . . . 1.0 109.58 179.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -51.56 -47.03 63.6 Favored 'General case' 0 C--O 1.218 -0.558 0 C-N-CA 124.633 1.173 . . . . 1.0 110.983 174.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.547 HG23 ' HG2' ' A' ' 33' ' ' ARG . 29.6 mt -48.47 -54.9 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 126.217 1.807 . . . . 1.0 112.448 174.147 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -60.82 -29.98 69.81 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 122.886 0.474 . . . . 1.0 111.739 177.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.2 tpp -85.33 -16.59 39.46 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.378 1.471 . . . . 1.0 114.355 177.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 tp -96.73 -14.42 22.02 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 128.735 2.814 . . . . 1.0 110.618 178.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.5 m 55.65 34.78 23.94 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.707 1.203 . . . . 1.0 111.074 -177.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.547 ' HG2' HG23 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -54.37 147.25 28.88 Favored Pre-proline 0 CA--C 1.539 0.543 0 C-N-CA 124.013 0.925 . . . . 1.0 111.797 -172.482 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -70.73 112.89 3.36 Favored 'Trans proline' 0 N--CA 1.454 -0.826 0 C-N-CA 122.097 1.864 . . . . 1.0 110.349 178.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.66 0.26 54.9 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.832 0.853 . . . . 1.0 113.059 177.074 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -121.39 163.05 19.33 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 127.269 2.228 . . . . 1.0 110.863 -178.15 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.562 0 O-C-N 119.235 -2.166 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.969 0 CA-C-O 117.473 -1.251 . . . . 1.0 109.508 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -75.17 -47.67 0.19 Allowed 'Trans proline' 0 CA--C 1.535 0.563 0 C-N-CA 123.234 2.623 . . . . 1.0 112.503 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -98.51 99.79 10.98 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.721 1.208 . . . . 1.0 108.418 173.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -70.34 -58.23 5.06 Favored Pre-proline 0 CA--C 1.539 0.553 0 CA-C-O 117.653 -1.165 . . . . 1.0 112.09 168.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -73.46 138.15 26.62 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 121.914 1.743 . . . . 1.0 110.988 179.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -95.58 152.77 18.14 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.828 0.823 . . . . 1.0 110.851 177.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -72.45 155.71 90.98 Favored Pre-proline 0 CA--C 1.547 0.852 0 C-N-CA 124.131 0.972 . . . . 1.0 111.45 178.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -70.31 179.72 3.78 Favored 'Trans proline' 0 CA--C 1.54 0.792 0 C-N-CA 122.917 2.412 . . . . 1.0 111.241 171.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.89 -90.53 0.01 OUTLIER Glycine 0 CA--C 1.538 1.488 0 C-N-CA 125.375 1.464 . . . . 1.0 114.625 -178.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -174.86 84.9 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.115 1.366 . . . . 1.0 110.776 173.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 32.6 p-10 -174.35 73.64 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.511 0 O-C-N 121.282 -0.886 . . . . 1.0 112.353 -174.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -152.64 130.04 11.36 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 107.334 -1.358 . . . . 1.0 107.334 172.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 34.8 p -51.1 154.42 2.68 Favored Pre-proline 0 CA--C 1.54 0.571 0 C-N-CA 124.181 0.992 . . . . 1.0 110.909 175.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -75.19 58.62 5.07 Favored 'Trans proline' 0 CA--C 1.543 0.961 0 C-N-CA 122.85 2.366 . . . . 1.0 111.098 178.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -100.17 -19.69 16.31 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.428 1.891 . . . . 1.0 112.41 173.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -125.65 -51.73 1.59 Allowed 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 124.823 1.249 . . . . 1.0 110.326 -177.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.67 -25.58 62.94 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 112.847 0.684 . . . . 1.0 112.847 175.545 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.81 -31.37 27.08 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.472 1.109 . . . . 1.0 112.695 173.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.84 -60.75 2.08 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.166 1.386 . . . . 1.0 111.324 176.644 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -54.59 -40.35 68.75 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.922 1.289 . . . . 1.0 113.03 176.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.27 -46.0 92.16 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.656 0.783 . . . . 1.0 111.234 175.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.14 -29.29 70.68 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 118.596 -0.716 . . . . 1.0 112.331 173.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.31 -54.13 16.13 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.224 1.41 . . . . 1.0 110.856 174.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.7 tp -53.67 -40.39 65.87 Favored 'General case' 0 C--N 1.342 0.279 0 CA-C-O 118.735 -0.65 . . . . 1.0 111.414 178.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.572 ' HA ' HD12 ' A' ' 28' ' ' ILE . 3.6 ttt180 -46.9 -44.03 19.38 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 119.043 0.838 . . . . 1.0 112.805 171.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.48 -44.35 58.11 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.53 1.132 . . . . 1.0 110.042 178.443 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -51.97 -50.88 60.39 Favored 'General case' 0 C--O 1.218 -0.588 0 C-N-CA 124.704 1.202 . . . . 1.0 111.064 175.302 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.636 HG23 ' HB3' ' A' ' 33' ' ' ARG . 21.3 mt -51.32 -53.17 16.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 126.079 1.752 . . . . 1.0 110.788 -179.311 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -59.03 -40.22 84.35 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.543 0.737 . . . . 1.0 111.35 176.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 10.4 mmm -73.43 -8.64 56.72 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.563 1.945 . . . . 1.0 115.269 174.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.29 -9.29 15.51 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 127.465 2.306 . . . . 1.0 110.431 177.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.3 m 57.0 31.94 20.78 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.437 1.095 . . . . 1.0 110.415 -175.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.636 ' HB3' HG23 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -48.61 130.58 13.95 Favored Pre-proline 0 N--CA 1.473 0.706 0 C-N-CA 124.62 1.168 . . . . 1.0 110.353 -174.338 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -69.33 112.06 2.9 Favored 'Trans proline' 0 N--CA 1.454 -0.806 0 C-N-CA 122.438 2.092 . . . . 1.0 111.02 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.48 80.57 1.23 Allowed 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.806 0.842 . . . . 1.0 111.265 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -135.79 129.45 32.51 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 122.181 0.991 . . . . 1.0 110.905 -175.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.638 0 O-C-N 119.073 -2.267 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.506 ' HB3' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.478 0.967 0 CA-C-O 116.836 -1.554 . . . . 1.0 111.229 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.506 ' HD3' ' HB3' ' A' ' 1' ' ' ALA . 64.6 Cg_endo -72.88 177.55 7.53 Favored 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 121.591 1.527 . . . . 1.0 111.12 172.674 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.9 mp 65.3 92.64 0.07 Allowed 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 127.451 2.3 . . . . 1.0 112.166 -175.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -121.19 164.93 20.97 Favored Pre-proline 0 CA--C 1.542 0.643 0 C-N-CA 123.151 0.58 . . . . 1.0 112.081 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -76.31 10.24 2.21 Favored 'Trans proline' 0 CA--C 1.54 0.798 0 C-N-CA 123.649 2.9 . . . . 1.0 112.902 174.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -44.97 133.35 6.41 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.185 1.794 . . . . 1.0 111.988 174.369 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -63.75 158.61 59.43 Favored Pre-proline 0 CA--C 1.546 0.793 0 O-C-N 121.714 -0.616 . . . . 1.0 112.256 179.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -71.47 174.29 11.14 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 122.688 2.259 . . . . 1.0 111.755 175.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 126.9 128.95 3.21 Favored Glycine 0 CA--C 1.529 0.93 0 C-N-CA 124.721 1.153 . . . . 1.0 111.316 -176.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -72.92 82.21 1.2 Allowed 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.063 1.345 . . . . 1.0 111.045 173.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -172.07 74.59 0.05 OUTLIER 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.202 1.001 . . . . 1.0 111.935 -178.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -155.49 -174.42 4.96 Favored 'General case' 0 C--O 1.237 0.401 0 O-C-N 121.118 -0.989 . . . . 1.0 110.847 176.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 37.7 p -48.85 148.62 3.69 Favored Pre-proline 0 CA--C 1.539 0.555 0 C-N-CA 125.626 1.57 . . . . 1.0 111.82 174.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -67.15 -11.76 33.43 Favored 'Trans proline' 0 CA--C 1.54 0.777 0 C-N-CA 122.498 2.132 . . . . 1.0 113.166 -176.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -80.96 -18.65 46.26 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.7 1.6 . . . . 1.0 113.685 170.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.6 tm0? -87.79 -51.49 5.83 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 119.399 0.999 . . . . 1.0 110.375 -174.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.97 -25.43 63.56 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.256 0.623 . . . . 1.0 112.612 175.221 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.19 -34.25 56.17 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.978 1.311 . . . . 1.0 112.8 173.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -53.42 26.17 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.788 1.235 . . . . 1.0 111.434 176.131 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -57.22 -48.22 79.37 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 123.827 0.851 . . . . 1.0 111.578 174.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.16 -44.67 83.68 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.826 0.85 . . . . 1.0 111.821 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.91 -56.41 22.33 Favored 'General case' 0 C--N 1.342 0.256 0 CA-C-O 118.057 -0.973 . . . . 1.0 111.475 172.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.9 -44.98 64.01 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 119.25 0.932 . . . . 1.0 111.778 176.54 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.9 tt -55.93 -50.05 71.81 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.213 1.405 . . . . 1.0 112.016 177.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.98 -41.68 35.12 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 118.725 0.693 . . . . 1.0 111.809 174.248 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -73.83 -43.86 57.45 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.94 0.896 . . . . 1.0 110.53 178.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -52.31 -48.96 65.11 Favored 'General case' 0 C--O 1.219 -0.542 0 C-N-CA 126.051 1.741 . . . . 1.0 110.554 175.722 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 26.8 mt -46.83 -53.67 2.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 125.374 1.469 . . . . 1.0 111.857 176.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -60.38 -46.2 90.82 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.29 0.636 . . . . 1.0 110.664 178.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 15.6 mmm -66.04 -11.9 51.49 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.24 1.816 . . . . 1.0 115.414 174.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.27 -9.99 17.32 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 127.436 2.294 . . . . 1.0 110.575 176.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 26.5 m 58.59 22.15 9.47 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.063 1.345 . . . . 1.0 111.864 -176.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -149.61 131.2 7.46 Favored Pre-proline 0 C--N 1.344 0.365 0 C-N-CA 124.306 1.042 . . . . 1.0 110.884 -176.049 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.72 72.35 3.13 Favored 'Trans proline' 0 CA--C 1.537 0.656 0 C-N-CA 123.663 2.908 . . . . 1.0 110.913 176.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -56.51 132.67 52.1 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 123.533 0.733 . . . . 1.0 110.578 173.4 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -94.56 -54.52 3.48 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 114.667 -1.151 . . . . 1.0 111.29 176.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.507 0 O-C-N 119.465 -2.022 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.533 ' HB3' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.478 0.933 0 CA-C-O 117.016 -1.469 . . . . 1.0 111.658 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.533 ' HD3' ' HB3' ' A' ' 1' ' ' ALA . 20.8 Cg_endo -71.16 -62.13 0.05 OUTLIER 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 122.245 1.963 . . . . 1.0 111.704 -179.372 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 12.2 tp -170.16 122.04 0.66 Allowed 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 127.112 2.165 . . . . 1.0 107.054 -178.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 156.19 -56.25 0.0 OUTLIER Pre-proline 0 N--CA 1.483 1.209 0 C-N-CA 129.508 3.123 . . . . 1.0 111.432 -176.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -77.31 106.55 2.25 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 122.219 1.946 . . . . 1.0 110.807 178.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -149.53 176.64 10.44 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.965 1.706 . . . . 1.0 109.626 176.031 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -35.46 95.45 0.09 OUTLIER Pre-proline 0 CA--C 1.543 0.71 0 C-N-CA 127.596 2.358 . . . . 1.0 112.414 174.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -77.27 172.13 16.54 Favored 'Trans proline' 0 N--CA 1.453 -0.896 0 C-N-CA 121.817 1.678 . . . . 1.0 111.061 -178.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.36 93.58 0.88 Allowed Glycine 0 CA--C 1.524 0.594 0 N-CA-C 109.577 -1.409 . . . . 1.0 109.577 176.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 56.12 74.6 0.38 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.992 2.117 . . . . 1.0 113.05 176.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -162.84 89.23 0.64 Allowed 'General case' 0 CA--C 1.537 0.468 0 O-C-N 121.584 -0.697 . . . . 1.0 112.343 -177.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -157.52 -175.58 5.47 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.489 0.716 . . . . 1.0 110.057 177.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 52.1 p -46.98 150.02 1.44 Allowed Pre-proline 0 CA--C 1.544 0.733 0 C-N-CA 125.578 1.551 . . . . 1.0 112.537 174.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -70.16 -3.71 12.82 Favored 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 122.979 2.452 . . . . 1.0 112.856 -179.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -91.0 -11.52 38.63 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.941 1.696 . . . . 1.0 113.149 170.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -107.52 -47.18 3.68 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 119.461 1.028 . . . . 1.0 111.656 -177.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.7 tmm? -59.77 -34.24 72.74 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 122.573 0.349 . . . . 1.0 110.965 177.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.01 7.55 3.16 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.925 1.69 . . . . 1.0 114.503 172.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -118.4 -56.05 2.18 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 125.703 1.601 . . . . 1.0 110.175 178.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -63.28 -39.5 94.76 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.136 0.574 . . . . 1.0 111.814 179.196 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.62 -39.59 88.79 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 120.971 -1.081 . . . . 1.0 112.327 179.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.34 -26.22 66.41 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 118.338 -0.839 . . . . 1.0 112.623 172.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -71.32 -43.64 66.67 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.669 1.588 . . . . 1.0 111.968 173.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 24.7 tp -58.39 -45.81 87.6 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.416 0.687 . . . . 1.0 111.087 177.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.01 -38.4 17.01 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.861 0.864 . . . . 1.0 112.062 173.717 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.01 -52.41 14.51 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.115 0.966 . . . . 1.0 109.526 177.644 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -47.25 -40.47 16.59 Favored 'General case' 0 C--O 1.223 -0.301 0 C-N-CA 125.009 1.324 . . . . 1.0 112.076 177.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 27.5 mt -57.97 -63.08 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 C-N-CA 125.62 1.568 . . . . 1.0 112.374 173.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -58.65 -35.54 72.69 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 117.924 0.329 . . . . 1.0 111.112 178.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 8.1 tpp -67.26 -10.25 48.84 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.695 1.598 . . . . 1.0 113.848 175.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.708 HD21 ' HD2' ' A' ' 33' ' ' ARG . 0.1 OUTLIER -108.83 0.1 20.13 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.977 1.711 . . . . 1.0 110.786 175.765 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.5 m 57.82 32.79 22.41 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.384 -0.823 . . . . 1.0 110.513 -174.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.708 ' HD2' HD21 ' A' ' 31' ' ' LEU . 2.4 tpt180 -45.91 116.69 3.49 Favored Pre-proline 0 N--CA 1.475 0.819 0 C-N-CA 124.305 1.042 . . . . 1.0 110.349 -173.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -70.02 162.49 41.99 Favored 'Trans proline' 0 N--CA 1.45 -1.076 0 C-N-CA 121.164 1.243 . . . . 1.0 110.071 177.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 53.41 90.18 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.977 1.711 . . . . 1.0 112.785 -177.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -57.53 118.75 5.52 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 121.65 0.738 . . . . 1.0 111.419 179.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.63 0 O-C-N 119.835 -1.791 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.03 0 CA-C-O 117.669 -1.157 . . . . 1.0 109.573 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -74.19 63.16 5.21 Favored 'Trans proline' 0 CA--C 1.545 1.064 0 C-N-CA 124.196 3.264 . . . . 1.0 112.047 178.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -116.28 87.89 2.78 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 125.489 1.516 . . . . 1.0 109.645 -177.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 163.44 -55.66 0.0 OUTLIER Pre-proline 0 CA--C 1.547 0.829 0 C-N-CA 128.908 2.883 . . . . 1.0 111.377 -174.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -77.94 86.78 1.6 Allowed 'Trans proline' 0 C--N 1.355 0.915 0 C-N-CA 122.988 2.458 . . . . 1.0 111.414 -178.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.33 141.11 17.06 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 125.14 1.376 . . . . 1.0 109.147 173.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.408 ' CG ' ' HD2' ' A' ' 8' ' ' PRO . 0.7 OUTLIER -160.25 152.58 17.26 Favored Pre-proline 0 CA--C 1.542 0.642 0 CA-C-O 118.61 -0.71 . . . . 1.0 110.449 175.264 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.408 ' HD2' ' CG ' ' A' ' 7' ' ' TYR . 51.6 Cg_endo -74.2 178.49 6.9 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 123.107 2.538 . . . . 1.0 111.825 172.092 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.43 123.62 2.67 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 124.391 0.996 . . . . 1.0 112.5 -177.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -96.28 85.16 3.89 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.029 1.332 . . . . 1.0 109.714 -177.083 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -166.86 95.2 0.5 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.161 0.584 . . . . 1.0 110.984 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -155.55 177.77 11.0 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.448 0.699 . . . . 1.0 109.986 175.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 76.8 p -50.59 151.14 4.27 Favored Pre-proline 0 CA--C 1.544 0.714 0 C-N-CA 124.775 1.23 . . . . 1.0 112.216 175.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -69.9 -5.89 17.37 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.655 2.237 . . . . 1.0 112.846 -179.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -89.15 -19.39 25.56 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.686 1.194 . . . . 1.0 113.227 170.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -93.77 -51.3 4.97 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 118.726 0.693 . . . . 1.0 110.037 -177.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -22.36 66.84 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 122.616 0.366 . . . . 1.0 111.885 178.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.4 -33.07 65.43 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.78 1.232 . . . . 1.0 112.993 172.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.51 -57.25 4.97 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.332 1.053 . . . . 1.0 110.671 176.638 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -55.71 -44.47 77.45 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.143 0.977 . . . . 1.0 112.968 175.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.51 -42.2 95.92 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.241 -0.912 . . . . 1.0 112.189 175.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.48 -29.39 67.79 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 118.541 -0.742 . . . . 1.0 112.546 171.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.83 -44.09 64.46 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.346 1.059 . . . . 1.0 111.495 173.186 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 tp -55.66 -43.38 76.22 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.393 0.677 . . . . 1.0 111.816 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.26 -31.72 21.99 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.536 1.134 . . . . 1.0 113.294 171.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.4 mtp85 -87.9 -40.32 14.06 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.545 1.138 . . . . 1.0 109.791 179.087 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -58.33 -34.86 71.08 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.15 1.38 . . . . 1.0 112.743 175.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.9 mt -58.76 -25.99 30.54 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 C-N-CA 124.937 1.295 . . . . 1.0 112.085 171.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -86.67 -42.87 13.06 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.074 -1.016 . . . . 1.0 111.189 172.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -19.85 63.89 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 113.532 0.938 . . . . 1.0 113.532 179.243 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.42 HD23 ' O ' ' A' ' 31' ' ' LEU . 9.9 tt -93.23 -7.21 45.78 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.141 1.376 . . . . 1.0 112.084 176.091 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.3 m 58.43 19.59 6.61 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.241 1.416 . . . . 1.0 112.388 -175.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.26 160.83 16.38 Favored Pre-proline 0 CA--C 1.543 0.675 0 C-N-CA 125.293 1.437 . . . . 1.0 111.047 -176.226 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -73.25 -179.14 4.11 Favored 'Trans proline' 0 N--CA 1.455 -0.757 0 C-N-CA 123.351 2.701 . . . . 1.0 112.255 173.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -132.95 120.9 22.04 Favored 'General case' 0 C--O 1.226 -0.146 0 C-N-CA 125.614 1.566 . . . . 1.0 108.894 177.238 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -43.66 -49.67 7.68 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.013 1.725 . . . . 1.0 112.964 172.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 119.455 -2.028 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.524 ' HB3' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.475 0.811 0 CA-C-O 116.034 -1.936 . . . . 1.0 111.014 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.524 ' HD3' ' HB3' ' A' ' 1' ' ' ALA . 38.4 Cg_endo -68.98 118.17 5.5 Favored 'Trans proline' 0 C--N 1.352 0.742 0 C-N-CA 122.445 2.096 . . . . 1.0 109.796 -178.338 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.409 HD12 ' O ' ' A' ' 2' ' ' PRO . 0.1 OUTLIER -175.96 -28.97 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.875 1.67 . . . . 1.0 110.727 175.88 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.77 154.93 84.25 Favored Pre-proline 0 CA--C 1.547 0.861 0 N-CA-C 112.023 0.379 . . . . 1.0 112.023 177.236 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -71.74 175.34 9.75 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 122.287 1.991 . . . . 1.0 111.864 173.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -76.85 159.62 29.91 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.563 -0.711 . . . . 1.0 111.696 174.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -132.6 83.1 54.83 Favored Pre-proline 0 CA--C 1.54 0.587 0 C-N-CA 125.245 1.418 . . . . 1.0 108.604 -176.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -69.34 179.84 3.2 Favored 'Trans proline' 0 CA--C 1.541 0.865 0 C-N-CA 122.802 2.335 . . . . 1.0 111.225 174.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -72.27 -106.41 0.06 OUTLIER Glycine 0 CA--C 1.536 1.378 0 C-N-CA 123.376 0.512 . . . . 1.0 112.777 179.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -137.25 70.03 1.4 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.129 0.972 . . . . 1.0 111.088 -175.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -162.38 94.29 0.88 Allowed 'General case' 0 CA--C 1.536 0.419 0 O-C-N 121.57 -0.706 . . . . 1.0 111.501 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -153.25 -175.84 5.52 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.284 0.634 . . . . 1.0 110.445 176.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 36.0 p -48.76 149.21 3.21 Favored Pre-proline 0 CA--C 1.543 0.692 0 C-N-CA 125.718 1.607 . . . . 1.0 112.285 174.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -70.19 -4.13 13.7 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.82 2.347 . . . . 1.0 112.981 -177.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -90.32 -15.99 30.08 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.746 1.618 . . . . 1.0 113.062 170.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -100.2 -53.9 3.01 Favored 'General case' 0 C--N 1.343 0.326 0 C-N-CA 123.839 0.855 . . . . 1.0 110.63 -177.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -24.78 67.69 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 112.248 0.462 . . . . 1.0 112.248 177.141 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.06 -37.21 52.98 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.615 1.166 . . . . 1.0 112.864 171.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.05 -56.8 13.8 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.49 0.716 . . . . 1.0 110.586 175.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -56.91 -45.16 82.84 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.403 1.081 . . . . 1.0 113.297 176.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.44 -48.43 80.73 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.3 0.64 . . . . 1.0 111.108 176.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.18 -30.66 71.21 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 118.764 -0.636 . . . . 1.0 112.105 174.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -68.21 -48.28 65.6 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.514 1.526 . . . . 1.0 112.026 174.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.85 -45.95 71.09 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.123 0.969 . . . . 1.0 110.77 176.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.0 ttt85 -46.99 -44.05 19.84 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 118.511 0.596 . . . . 1.0 111.875 174.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.33 -47.56 55.76 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 124.416 1.086 . . . . 1.0 109.538 178.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -48.55 -45.25 37.38 Favored 'General case' 0 C--O 1.222 -0.359 0 C-N-CA 125.747 1.619 . . . . 1.0 111.959 176.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.477 HG23 ' HB3' ' A' ' 33' ' ' ARG . 96.3 mt -54.74 -60.14 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 125.337 1.455 . . . . 1.0 111.138 175.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -61.47 -35.03 76.47 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.037 0.535 . . . . 1.0 111.732 178.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 8.4 tpp -69.33 -9.1 51.8 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.461 1.905 . . . . 1.0 113.714 174.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.448 ' O ' HD12 ' A' ' 31' ' ' LEU . 0.1 OUTLIER -111.52 1.51 16.94 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.764 1.626 . . . . 1.0 110.76 174.213 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 16.3 m 60.0 27.32 16.7 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.461 1.104 . . . . 1.0 110.583 -177.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.477 ' HB3' HG23 ' A' ' 28' ' ' ILE . 1.5 ttt85 -46.25 100.52 0.23 Allowed Pre-proline 0 N--CA 1.475 0.78 0 C-N-CA 126.132 1.773 . . . . 1.0 111.675 -169.271 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -76.26 91.94 1.09 Allowed 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 122.292 1.994 . . . . 1.0 110.114 -170.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.8 ppt_? -89.99 144.27 26.06 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 124.326 1.05 . . . . 1.0 110.611 178.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -158.47 151.31 22.38 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 121.794 0.806 . . . . 1.0 110.477 177.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.614 0 O-C-N 119.623 -1.923 . . . . 1.0 . . . . . . . . . . 0 0 . 1 stop_ save_