data_6qbj_residue ############################ # Computer software used # ############################ 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 6qbj _Structure_validation_residue.Date_analyzed 2019-02-22 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 ' 2' ' ' VAL . . . . . . . . . . . . . 34.6 m . . . . . 0 N--CA 1.487 1.39 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 11.7 t80 44.53 36.32 1.66 Allowed 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 126.527 1.931 . . . . 0.0 114.144 -167.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 56.27 20.46 4.61 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 127.129 2.172 . . . . 0.0 116.17 173.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.1 m -52.73 -36.51 23.14 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 N-CA-C 114.622 1.341 . . . . 0.0 114.622 -174.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.68 -47.07 56.68 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.313 0.645 . . . . 0.0 112.17 174.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 tt -58.26 -43.54 87.93 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.427 1.091 . . . . 0.0 111.185 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.4 m -65.47 -16.88 64.1 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.724 1.209 . . . . 0.0 113.843 177.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -120.16 -68.91 0.88 Allowed 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.225 1.01 . . . . 0.0 113.574 -171.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 16.7 m . . . . . 0 N--CA 1.482 1.149 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 179.823 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.4 m . . . . . 0 N--CA 1.482 1.145 0 N-CA-C 116.21 1.93 . . . . 0.0 116.21 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 56.27 30.89 17.5 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 126.005 1.722 . . . . 0.0 114.832 -177.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.9 p -50.65 -25.17 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 126.13 1.772 . . . . 0.0 115.188 -178.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.91 -30.08 44.75 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.53 1.132 . . . . 0.0 113.938 173.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.9 tp -62.29 -46.96 86.42 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.993 0.917 . . . . 0.0 112.029 173.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -70.72 -34.1 71.55 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.707 0.803 . . . . 0.0 111.923 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.04 -51.71 66.9 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.398 0.679 . . . . 0.0 111.686 170.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -57.15 -38.29 73.32 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.174 -0.954 . . . . 0.0 112.042 174.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.24 -0.55 4.59 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 125.78 1.657 . . . . 0.0 116.744 176.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.6 pp . . . . . 0 N--CA 1.474 0.769 0 CA-C-N 119.184 1.492 . . . . 0.0 114.3 170.916 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.47 0.569 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.271 0.0 OUTLIER 41.37 34.72 0.37 Allowed 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 127.741 2.416 . . . . 0.0 115.977 175.496 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.2 tp . . . . . 0 CA--C 1.543 0.706 0 C-N-CA 125.76 1.624 . . . . 0.0 114.494 -171.527 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.069 0 N-CA-C 116.898 1.519 . . . . 0.0 116.898 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.72 -30.32 71.33 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 118.895 1.348 . . . . 0.0 113.575 178.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.3 m -145.74 19.15 1.48 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.119 1.368 . . . . 0.0 113.758 -172.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -165.25 174.16 41.09 Favored Glycine 0 CA--C 1.541 1.677 0 N-CA-C 116.091 1.197 . . . . 0.0 116.091 -174.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -67.82 132.0 25.56 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 124.164 3.243 . . . . 0.0 112.297 -172.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -155.88 11.25 0.29 Allowed 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 -173.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.9 mmtt -114.62 25.42 11.02 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 125.028 1.331 . . . . 0.0 113.859 -167.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -137.25 164.27 28.93 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 126.337 1.855 . . . . 0.0 110.347 176.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -143.1 159.93 41.35 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.004 1.322 . . . . 0.0 111.367 175.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.5 m -59.56 150.27 27.61 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.33 1.452 . . . . 0.0 114.228 -176.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -139.29 170.39 16.03 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 126.674 1.99 . . . . 0.0 111.824 -177.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -173.81 174.87 46.39 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 124.767 1.175 . . . . 0.0 113.731 176.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -133.72 9.46 3.92 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 125.653 1.581 . . . . 0.0 114.353 -174.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.405 0 C-N-CA 124.38 0.991 . . . . 0.0 114.953 -175.768 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.2 m . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 121.423 0.63 . . . . 0.0 111.961 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 3.5 t80 48.81 28.71 1.99 Allowed 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.671 1.988 . . . . 0.0 114.65 -172.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 54.87 21.23 3.51 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 127.355 2.262 . . . . 0.0 115.736 176.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 29.6 m -52.94 -37.26 25.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 -169.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.59 -45.55 65.11 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 118.73 0.695 . . . . 0.0 112.192 175.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.9 tt -59.59 -43.29 93.74 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.42 1.088 . . . . 0.0 110.753 177.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.4 m -63.33 -17.93 63.09 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.672 1.189 . . . . 0.0 113.768 175.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -115.48 -69.89 0.83 Allowed 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.456 1.103 . . . . 0.0 113.476 -172.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 15.4 m . . . . . 0 N--CA 1.483 1.216 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 -178.855 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.0 m . . . . . 0 N--CA 1.483 1.223 0 N-CA-C 115.785 1.772 . . . . 0.0 115.785 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 55.85 31.19 17.22 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 126.109 1.764 . . . . 0.0 114.856 -177.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.9 p -49.67 -29.51 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 C-N-CA 126.012 1.725 . . . . 0.0 115.558 -173.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.43 -27.06 45.54 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.434 1.094 . . . . 0.0 113.855 174.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.2 tp -61.1 -41.2 96.23 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.278 1.031 . . . . 0.0 112.491 173.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -76.14 -32.08 58.92 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 121.689 -0.632 . . . . 0.0 111.978 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.09 -49.92 72.57 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.241 0.616 . . . . 0.0 111.284 168.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -56.71 -40.65 76.02 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 121.276 -0.89 . . . . 0.0 111.814 171.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.74 3.66 3.63 Favored Glycine 0 CA--C 1.537 1.433 0 C-N-CA 126.012 1.768 . . . . 0.0 116.627 177.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.5 pp . . . . . 0 N--CA 1.472 0.653 0 CA-C-N 119.068 1.434 . . . . 0.0 114.159 171.305 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.47 0.541 0 CA-C-O 119.256 -0.402 . . . . 0.0 111.337 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.278 0.0 OUTLIER 40.33 37.51 0.44 Allowed 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 127.502 2.321 . . . . 0.0 114.905 179.248 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 38.8 tp . . . . . 0 CA--C 1.543 0.679 0 C-N-CA 126.193 1.797 . . . . 0.0 114.491 -169.369 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.089 0 N-CA-C 117.711 1.844 . . . . 0.0 117.711 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.6 -28.85 70.2 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 119.292 1.546 . . . . 0.0 113.58 177.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.4 m -145.47 19.34 1.53 Allowed 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.16 1.384 . . . . 0.0 113.737 -172.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -164.86 175.15 40.85 Favored Glycine 0 CA--C 1.54 1.613 0 O-C-N 120.846 -1.159 . . . . 0.0 115.657 -174.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -66.75 128.41 18.88 Favored 'Trans proline' 0 CA--C 1.537 0.667 0 C-N-CA 124.13 3.22 . . . . 0.0 112.497 -171.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -155.59 14.44 0.36 Allowed 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -175.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.7 mmtm -125.92 29.82 5.82 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 125.568 1.547 . . . . 0.0 113.09 -164.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -138.69 163.78 31.24 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 127.41 2.284 . . . . 0.0 109.123 172.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -142.2 161.14 38.77 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.589 1.155 . . . . 0.0 111.493 174.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.2 m -57.19 147.13 25.89 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.57 1.548 . . . . 0.0 114.121 -177.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -138.13 170.0 16.81 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 126.551 1.94 . . . . 0.0 111.622 -178.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -175.43 176.93 47.41 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 124.872 1.225 . . . . 0.0 113.704 176.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -131.62 9.23 4.63 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 125.678 1.591 . . . . 0.0 114.184 -175.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.398 0 C-N-CA 124.481 1.038 . . . . 0.0 114.948 -176.693 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 33.6 m . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 121.383 0.611 . . . . 0.0 111.74 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 4.1 t80 48.33 30.15 2.19 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 126.801 2.041 . . . . 0.0 114.429 -170.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 56.46 15.71 2.15 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 127.939 2.495 . . . . 0.0 116.235 175.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 34.9 m -54.7 -34.08 29.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 N-CA-C 114.891 1.441 . . . . 0.0 114.891 -170.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.94 -50.03 46.03 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.086 0.554 . . . . 0.0 112.092 174.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.6 tt -56.27 -43.46 78.79 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.697 1.199 . . . . 0.0 110.649 176.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 48.1 m -62.73 -17.64 61.18 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.127 1.371 . . . . 0.0 114.203 177.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -123.15 -64.66 1.15 Allowed 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -172.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.9 m . . . . . 0 N--CA 1.482 1.155 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 179.563 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 32.6 m . . . . . 0 N--CA 1.485 1.275 0 N-CA-C 116.265 1.95 . . . . 0.0 116.265 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 52.42 37.41 22.58 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.386 1.474 . . . . 0.0 113.822 -172.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.2 p -49.96 -29.01 4.86 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 125.401 1.48 . . . . 0.0 114.465 -176.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.25 -26.46 40.03 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.137 1.375 . . . . 0.0 113.78 173.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.2 tp -59.84 -48.15 82.85 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.127 1.371 . . . . 0.0 111.838 173.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -75.47 -32.07 60.48 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.858 0.863 . . . . 0.0 111.466 -178.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.94 -48.28 77.14 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.349 0.66 . . . . 0.0 111.769 169.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -59.32 -37.25 77.3 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 120.892 -1.13 . . . . 0.0 111.545 171.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.61 3.01 1.5 Allowed Glycine 0 CA--C 1.538 1.522 0 C-N-CA 126.126 1.822 . . . . 0.0 116.995 172.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 pp . . . . . 0 N--CA 1.474 0.767 0 CA-C-N 118.837 1.319 . . . . 0.0 114.315 169.901 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 . . . . . 0 N--CA 1.467 0.407 0 CA-C-O 118.841 -0.6 . . . . 0.0 112.007 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.274 0.0 OUTLIER 40.87 35.69 0.36 Allowed 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 127.181 2.192 . . . . 0.0 114.624 -179.471 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 37.5 tp . . . . . 0 CA--C 1.542 0.666 0 C-N-CA 125.82 1.648 . . . . 0.0 114.029 -164.249 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.293 0 N-CA-C 115.359 0.904 . . . . 0.0 115.359 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.55 -32.62 73.61 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 118.552 1.176 . . . . 0.0 113.608 178.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.1 m -146.49 13.47 1.21 Allowed 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 -171.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -166.58 178.12 41.13 Favored Glycine 0 CA--C 1.542 1.746 0 N-CA-C 116.542 1.377 . . . . 0.0 116.542 -170.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -66.68 134.18 34.33 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 124.66 3.574 . . . . 0.0 113.155 -171.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -156.61 17.7 0.32 Allowed 'General case' 0 CA--C 1.551 0.981 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 -172.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.1 mmtm -133.2 32.96 3.66 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 124.772 1.229 . . . . 0.0 113.556 -169.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -137.14 165.34 26.31 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 126.929 2.091 . . . . 0.0 109.377 165.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -144.17 164.52 30.46 Favored 'General case' 0 CA--C 1.56 1.357 0 C-N-CA 124.48 1.112 . . . . 0.0 112.05 176.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 60.9 m -57.16 151.12 16.08 Favored 'General case' 0 N--CA 1.517 2.916 0 C-N-CA 125.708 1.603 . . . . 0.0 111.967 178.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 62.1 mmt-85 -145.81 172.39 13.39 Favored 'General case' 0 N--CA 1.53 3.547 0 C-N-CA 125.735 1.614 . . . . 0.0 110.042 -178.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -167.66 173.86 42.69 Favored Glycine 0 CA--C 1.541 1.715 0 C-N-CA 125.342 1.449 . . . . 0.0 113.099 175.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -133.48 8.3 3.92 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 125.451 1.5 . . . . 0.0 114.708 -171.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.479 0 N-CA-C 116.544 1.377 . . . . 0.0 116.544 -179.172 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.2 m . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 121.416 0.627 . . . . 0.0 112.015 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 19.8 t80 46.39 38.26 5.1 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.379 1.872 . . . . 0.0 114.059 -167.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 57.37 21.86 7.26 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.461 1.904 . . . . 0.0 116.124 167.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.3 m -52.78 -32.92 18.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 N-CA-C 114.556 1.317 . . . . 0.0 114.556 -175.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.5 -51.9 18.06 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.48 0.712 . . . . 0.0 112.183 172.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.1 tt -55.99 -43.57 77.77 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.775 1.23 . . . . 0.0 111.476 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 49.3 m -65.36 -17.52 64.59 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.82 1.248 . . . . 0.0 113.939 178.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -124.58 -62.52 1.25 Allowed 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 114.036 1.125 . . . . 0.0 114.036 -171.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.3 m . . . . . 0 N--CA 1.484 1.243 0 CA-C-N 119.575 1.08 . . . . 0.0 113.555 178.653 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.8 m . . . . . 0 N--CA 1.483 1.185 0 N-CA-C 116.403 2.001 . . . . 0.0 116.403 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 53.02 33.96 15.99 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 125.355 1.462 . . . . 0.0 114.134 -174.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.8 p -51.55 -24.0 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 125.866 1.666 . . . . 0.0 115.082 -175.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.58 -27.01 15.03 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.189 1.396 . . . . 0.0 114.32 171.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 58.0 tp -55.87 -51.1 68.74 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.808 1.243 . . . . 0.0 112.098 171.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -74.64 -31.87 62.09 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.848 0.859 . . . . 0.0 111.824 -178.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.78 -52.03 65.89 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.399 0.68 . . . . 0.0 111.515 170.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -57.53 -39.84 77.49 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.168 -0.957 . . . . 0.0 111.714 173.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.49 1.55 3.0 Favored Glycine 0 CA--C 1.539 1.556 0 C-N-CA 125.8 1.667 . . . . 0.0 116.912 176.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.1 pp . . . . . 0 N--CA 1.473 0.684 0 CA-C-N 119.207 1.504 . . . . 0.0 114.392 170.123 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.54 0.562 0 CA-C-O 119.181 -0.438 . . . . 0.0 111.921 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.268 0.0 OUTLIER 41.21 35.44 0.4 Allowed 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 127.687 2.395 . . . . 0.0 115.751 176.792 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 30.6 tp . . . . . 0 CA--C 1.544 0.748 0 C-N-CA 125.667 1.587 . . . . 0.0 114.455 -171.548 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.075 0 N-CA-C 116.948 1.539 . . . . 0.0 116.948 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.93 -31.19 72.29 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 118.872 1.336 . . . . 0.0 113.825 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.7 m -146.18 17.92 1.38 Allowed 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 114.304 1.224 . . . . 0.0 114.304 -169.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -165.87 176.47 41.28 Favored Glycine 0 CA--C 1.54 1.643 0 O-C-N 120.793 -1.192 . . . . 0.0 115.471 -174.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -64.96 129.24 22.63 Favored 'Trans proline' 0 CA--C 1.538 0.689 0 C-N-CA 124.15 3.234 . . . . 0.0 112.171 -174.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -154.47 12.86 0.41 Allowed 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 115.333 1.605 . . . . 0.0 115.333 -170.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -130.66 34.75 4.08 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 125.325 1.45 . . . . 0.0 112.935 -172.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -134.85 161.64 34.64 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 126.807 2.043 . . . . 0.0 109.061 169.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -143.42 162.01 36.9 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.622 1.169 . . . . 0.0 110.902 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 38.0 m -58.43 141.72 50.68 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.348 1.059 . . . . 0.0 112.885 175.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -135.77 174.71 10.32 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 126.278 1.831 . . . . 0.0 111.539 -178.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -169.43 174.62 43.8 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 124.761 1.172 . . . . 0.0 113.584 174.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -131.11 11.07 5.01 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 125.566 1.546 . . . . 0.0 114.105 -175.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.463 0 C-N-CA 124.54 1.066 . . . . 0.0 115.002 -177.974 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 26.9 m . . . . . 0 N--CA 1.488 1.425 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 13.0 t80 47.2 34.67 3.15 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 126.195 1.798 . . . . 0.0 114.046 -170.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 55.49 25.23 7.59 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.948 2.099 . . . . 0.0 115.828 172.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 18.2 m -51.91 -38.08 22.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 N-CA-C 114.398 1.258 . . . . 0.0 114.398 -177.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.57 -46.5 66.25 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.435 0.694 . . . . 0.0 112.186 175.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 tt -56.57 -44.67 81.23 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.667 1.187 . . . . 0.0 110.745 177.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.6 m -67.8 -17.13 64.42 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.97 1.308 . . . . 0.0 114.067 177.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -120.81 -68.81 0.88 Allowed 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 119.695 1.134 . . . . 0.0 113.809 -171.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 18.0 m . . . . . 0 N--CA 1.483 1.224 0 CA-C-N 119.478 1.035 . . . . 0.0 113.591 178.777 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.8 m . . . . . 0 N--CA 1.483 1.177 0 N-CA-C 116.319 1.97 . . . . 0.0 116.319 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 56.59 31.03 18.38 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.037 1.735 . . . . 0.0 114.52 -176.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.5 p -51.45 -26.59 6.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 125.476 1.511 . . . . 0.0 114.781 -177.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.22 -29.01 57.12 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 114.09 1.144 . . . . 0.0 114.09 172.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.4 tp -64.83 -48.51 74.12 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.005 0.922 . . . . 0.0 111.89 173.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -69.62 -33.53 72.78 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.311 0.644 . . . . 0.0 112.088 177.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.33 -46.78 85.08 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.62 0.768 . . . . 0.0 112.0 170.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -58.27 -37.49 75.07 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 120.839 -1.163 . . . . 0.0 111.682 172.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.69 1.5 3.2 Favored Glycine 0 CA--C 1.539 1.556 0 C-N-CA 125.756 1.645 . . . . 0.0 116.698 173.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.1 pp . . . . . 0 N--CA 1.475 0.786 0 CA-C-N 119.49 1.645 . . . . 0.0 114.548 171.758 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.472 0.626 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.286 0.0 OUTLIER 40.27 38.42 0.54 Allowed 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 127.357 2.263 . . . . 0.0 115.252 -177.924 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.2 tp . . . . . 0 CA--C 1.544 0.732 0 C-N-CA 126.048 1.739 . . . . 0.0 114.355 -173.001 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.111 0 N-CA-C 117.702 1.841 . . . . 0.0 117.702 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.58 -23.21 67.19 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 119.473 1.637 . . . . 0.0 113.585 176.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.2 m -142.94 20.15 1.96 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.499 1.519 . . . . 0.0 113.592 -174.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -169.19 173.0 43.6 Favored Glycine 0 CA--C 1.542 1.771 0 O-C-N 120.905 -1.122 . . . . 0.0 115.882 -176.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -68.47 133.19 27.38 Favored 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 124.115 3.21 . . . . 0.0 112.17 -175.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -154.49 15.05 0.44 Allowed 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 -168.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.5 mmtm -129.22 31.25 4.89 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 125.012 1.325 . . . . 0.0 113.856 -168.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -136.14 164.61 27.65 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 126.076 1.75 . . . . 0.0 110.41 172.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -145.63 160.19 42.04 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.153 1.381 . . . . 0.0 111.049 177.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.9 m -63.41 148.22 49.1 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.25 1.02 . . . . 0.0 112.681 175.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -139.21 171.96 13.53 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 126.009 1.724 . . . . 0.0 112.518 -174.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -173.18 177.6 45.54 Favored Glycine 0 CA--C 1.538 1.527 0 C-N-CA 125.424 1.488 . . . . 0.0 113.427 175.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -131.95 9.47 4.53 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 125.781 1.633 . . . . 0.0 114.268 -175.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.339 0 C-N-CA 124.959 1.266 . . . . 0.0 114.705 -173.593 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 26.8 m . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 121.334 0.587 . . . . 0.0 111.985 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 17.3 t80 48.34 32.9 3.44 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.446 1.899 . . . . 0.0 114.136 -169.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 54.88 22.25 4.16 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 126.897 2.079 . . . . 0.0 115.652 173.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 32.8 m -57.94 -34.47 48.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 -175.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.66 -48.92 58.14 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.642 0.777 . . . . 0.0 111.976 175.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.1 tt -56.93 -44.05 82.1 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.071 0.948 . . . . 0.0 110.652 177.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.0 m -71.34 -3.84 22.87 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.443 1.497 . . . . 0.0 113.603 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -132.53 -68.15 0.62 Allowed 'General case' 0 CA--C 1.545 0.764 0 O-C-N 120.862 -1.149 . . . . 0.0 113.947 -177.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.5 m . . . . . 0 N--CA 1.482 1.157 0 CA-C-N 119.437 1.017 . . . . 0.0 113.708 -178.699 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.8 m . . . . . 0 N--CA 1.481 1.122 0 N-CA-C 115.775 1.768 . . . . 0.0 115.775 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 56.44 35.17 25.5 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.879 1.671 . . . . 0.0 114.551 -178.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.7 p -46.2 -33.48 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 125.672 1.589 . . . . 0.0 114.658 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.6 -33.75 68.53 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.448 1.099 . . . . 0.0 113.915 175.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.2 tp -64.07 -45.78 87.26 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.013 0.925 . . . . 0.0 111.42 175.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -72.55 -35.73 68.09 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.08 0.952 . . . . 0.0 112.169 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.49 -49.75 75.52 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.738 0.815 . . . . 0.0 111.681 170.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -56.59 -41.02 76.28 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.235 -0.916 . . . . 0.0 111.554 171.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.07 6.1 4.26 Favored Glycine 0 CA--C 1.538 1.488 0 C-N-CA 126.206 1.86 . . . . 0.0 116.978 176.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.4 pp . . . . . 0 N--CA 1.473 0.699 0 CA-C-N 119.375 1.588 . . . . 0.0 114.052 170.226 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.471 0.599 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.283 0.0 OUTLIER 40.77 42.3 1.4 Allowed 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 126.941 2.096 . . . . 0.0 114.466 -177.881 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 31.2 tp . . . . . 0 CA--C 1.544 0.725 0 C-N-CA 125.956 1.702 . . . . 0.0 114.17 -170.849 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.105 0 N-CA-C 118.441 2.136 . . . . 0.0 118.441 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.0 -21.13 66.38 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 119.611 1.706 . . . . 0.0 113.901 177.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.1 m -142.37 16.37 2.04 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.1 1.36 . . . . 0.0 114.09 -170.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -172.41 176.67 45.31 Favored Glycine 0 CA--C 1.541 1.718 0 O-C-N 120.858 -1.151 . . . . 0.0 115.547 -175.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -64.3 131.59 30.72 Favored 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 124.095 3.197 . . . . 0.0 112.183 -175.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -155.94 11.62 0.3 Allowed 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 115.612 1.708 . . . . 0.0 115.612 -169.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 41.1 mmtm -130.43 33.07 4.34 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 125.354 1.462 . . . . 0.0 113.063 -170.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -135.75 163.59 29.84 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 126.408 1.883 . . . . 0.0 109.929 171.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -143.82 159.55 42.33 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.229 1.412 . . . . 0.0 110.19 177.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.3 m -58.84 145.07 42.23 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.71 1.204 . . . . 0.0 113.039 177.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -136.98 170.38 16.2 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 126.189 1.796 . . . . 0.0 111.904 -177.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -174.21 -179.32 44.76 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 125.017 1.294 . . . . 0.0 113.298 177.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -130.23 15.69 5.61 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 125.697 1.599 . . . . 0.0 113.729 -175.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.411 0 N-CA-C 115.595 0.998 . . . . 0.0 115.595 178.835 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 25.6 m . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 121.937 0.875 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 10.9 t80 43.4 45.14 5.2 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 127.618 2.367 . . . . 0.0 115.11 -174.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 59.69 23.52 12.35 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 115.779 1.77 . . . . 0.0 115.779 163.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 18.0 m -55.54 -30.24 25.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 -175.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.62 -52.11 10.3 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 118.869 0.759 . . . . 0.0 112.222 174.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.4 tt -57.37 -43.31 83.45 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.413 1.085 . . . . 0.0 111.169 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.6 m -73.38 -2.42 22.18 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.278 1.431 . . . . 0.0 113.404 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -131.08 -70.89 0.58 Allowed 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.0 -1.062 . . . . 0.0 113.273 -177.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.6 m . . . . . 0 N--CA 1.482 1.168 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 -178.071 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 31.6 m . . . . . 0 N--CA 1.482 1.136 0 N-CA-C 116.103 1.89 . . . . 0.0 116.103 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 54.22 38.26 28.89 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.442 1.497 . . . . 0.0 114.099 -174.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.6 p -44.51 -31.48 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 C-N-CA 126.992 2.117 . . . . 0.0 114.947 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.58 -35.91 61.35 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.502 1.121 . . . . 0.0 113.876 175.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.5 tp -63.92 -46.52 84.44 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.784 0.833 . . . . 0.0 111.915 175.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -73.02 -33.53 65.81 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.06 0.944 . . . . 0.0 112.201 -177.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.88 -51.59 63.85 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.68 0.792 . . . . 0.0 111.579 168.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -57.54 -36.64 71.89 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.165 -0.96 . . . . 0.0 112.319 175.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.69 0.79 2.82 Favored Glycine 0 CA--C 1.538 1.47 0 C-N-CA 125.964 1.745 . . . . 0.0 116.714 175.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.7 pp . . . . . 0 N--CA 1.473 0.725 0 CA-C-N 118.936 1.368 . . . . 0.0 114.283 168.993 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.471 0.6 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.268 0.0 OUTLIER 40.74 37.78 0.54 Allowed 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 127.368 2.267 . . . . 0.0 115.367 178.117 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.2 tp . . . . . 0 CA--C 1.545 0.761 0 C-N-CA 125.623 1.569 . . . . 0.0 114.384 -170.233 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.151 0 N-CA-C 116.718 1.447 . . . . 0.0 116.718 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.23 -24.55 67.71 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 118.887 1.344 . . . . 0.0 114.042 179.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.1 m -142.01 16.14 2.1 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.281 1.432 . . . . 0.0 114.113 -174.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -171.72 175.66 45.08 Favored Glycine 0 CA--C 1.54 1.639 0 N-CA-C 116.297 1.279 . . . . 0.0 116.297 -176.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -65.87 137.78 50.48 Favored 'Trans proline' 0 CA--C 1.538 0.695 0 C-N-CA 124.316 3.344 . . . . 0.0 112.504 -175.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -156.71 15.91 0.3 Allowed 'General case' 0 CA--C 1.553 1.072 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -169.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -127.14 24.95 6.28 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 125.314 1.445 . . . . 0.0 113.974 -166.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -136.53 165.57 25.55 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.566 1.946 . . . . 0.0 109.719 171.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -141.47 162.76 34.7 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.098 1.359 . . . . 0.0 110.671 176.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 38.3 m -59.15 144.86 44.51 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.665 1.186 . . . . 0.0 113.473 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 32.9 mmt180 -138.52 175.4 9.6 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 126.446 1.899 . . . . 0.0 112.001 -176.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -164.36 176.4 40.28 Favored Glycine 0 CA--C 1.537 1.406 0 C-N-CA 125.854 1.692 . . . . 0.0 112.385 174.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -130.01 19.81 5.45 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 124.803 1.241 . . . . 0.0 113.803 -172.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.496 0 C-N-CA 124.39 0.995 . . . . 0.0 115.445 179.378 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.7 m . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 121.38 0.61 . . . . 0.0 111.824 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . 0.253 2.5 t80 40.75 44.05 1.79 Allowed 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 127.964 2.506 . . . . 0.0 115.313 -171.711 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 62.11 22.57 13.21 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 115.853 1.797 . . . . 0.0 115.853 163.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 15.9 m -51.56 -29.73 10.23 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 N-CA-C 115.457 1.651 . . . . 0.0 115.457 -176.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -89.55 -46.69 8.49 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.645 0.778 . . . . 0.0 112.617 174.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.2 tt -57.25 -47.44 81.37 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.447 1.099 . . . . 0.0 111.232 -177.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.3 m -69.72 -9.17 53.42 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.253 1.421 . . . . 0.0 113.617 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -126.29 -73.56 0.62 Allowed 'General case' 0 CA--C 1.543 0.709 0 O-C-N 120.972 -1.08 . . . . 0.0 113.299 -172.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 29.0 m . . . . . 0 N--CA 1.482 1.146 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -177.816 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 32.0 m . . . . . 0 N--CA 1.481 1.115 0 N-CA-C 116.053 1.872 . . . . 0.0 116.053 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 53.44 38.17 27.34 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.353 1.461 . . . . 0.0 113.873 -174.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.6 p -45.56 -32.11 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 C-N-CA 126.236 1.814 . . . . 0.0 114.767 -178.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.52 -31.95 57.2 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.919 1.288 . . . . 0.0 114.336 175.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.2 tp -61.4 -52.19 65.63 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.279 1.032 . . . . 0.0 111.537 175.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -71.9 -33.84 68.65 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.245 1.018 . . . . 0.0 111.921 -178.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.58 -50.72 70.17 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.752 0.821 . . . . 0.0 111.895 170.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -59.5 -36.36 75.92 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 120.899 -1.125 . . . . 0.0 111.674 174.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.73 2.36 2.64 Favored Glycine 0 CA--C 1.538 1.5 0 C-N-CA 125.854 1.692 . . . . 0.0 116.91 173.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.3 pp . . . . . 0 N--CA 1.473 0.72 0 CA-C-N 119.247 1.524 . . . . 0.0 114.481 170.182 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.469 0.508 0 CA-C-O 118.805 -0.617 . . . . 0.0 112.635 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.282 0.0 OUTLIER 40.8 40.42 0.97 Allowed 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 126.967 2.107 . . . . 0.0 114.625 179.548 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.3 tp . . . . . 0 CA--C 1.542 0.667 0 C-N-CA 126.492 1.917 . . . . 0.0 114.143 -171.564 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.143 0 N-CA-C 117.524 1.77 . . . . 0.0 117.524 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.12 -26.99 69.08 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 119.274 1.537 . . . . 0.0 113.82 178.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.8 m -145.96 20.97 1.44 Allowed 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.054 1.341 . . . . 0.0 113.464 -174.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -167.09 173.37 42.33 Favored Glycine 0 CA--C 1.541 1.667 0 N-CA-C 116.083 1.193 . . . . 0.0 116.083 -175.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -65.94 134.01 35.67 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 124.209 3.273 . . . . 0.0 112.221 -174.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -156.59 8.97 0.21 Allowed 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 -174.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.3 mmtt -115.14 23.63 12.34 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 125.209 1.404 . . . . 0.0 113.739 -168.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -136.37 162.38 33.18 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 126.582 1.953 . . . . 0.0 110.159 177.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -143.45 164.68 29.63 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.113 1.365 . . . . 0.0 111.024 176.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 68.3 m -64.82 144.49 57.22 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.805 0.842 . . . . 0.0 112.248 174.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -138.75 176.66 8.5 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 126.511 1.924 . . . . 0.0 111.587 -176.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.32 176.19 41.62 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 124.936 1.255 . . . . 0.0 113.632 175.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -130.16 5.4 4.88 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 125.675 1.59 . . . . 0.0 114.628 -174.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.421 0 C-N-CA 124.195 0.902 . . . . 0.0 115.079 -177.228 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.6 m . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 121.27 0.557 . . . . 0.0 112.032 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.3 t80 41.46 44.08 2.38 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 127.103 2.161 . . . . 0.0 114.636 -168.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 62.43 21.71 12.76 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 115.91 1.818 . . . . 0.0 115.91 163.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 18.0 m -52.57 -23.74 5.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 -179.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -102.21 -45.35 5.16 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.379 1.072 . . . . 0.0 112.762 173.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 tt -59.09 -44.19 91.91 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.906 0.882 . . . . 0.0 111.718 -177.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.3 m -70.93 -13.29 61.96 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.138 -0.976 . . . . 0.0 113.311 177.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -119.53 -72.04 0.71 Allowed 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.348 1.059 . . . . 0.0 113.247 -169.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 19.5 m . . . . . 0 N--CA 1.482 1.138 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 179.381 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.1 m . . . . . 0 N--CA 1.484 1.263 0 N-CA-C 116.01 1.856 . . . . 0.0 116.01 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 54.63 37.76 28.72 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.912 1.685 . . . . 0.0 114.343 -174.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.2 p -46.68 -31.28 1.5 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 C-N-CA 126.134 1.774 . . . . 0.0 114.682 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.32 -30.2 50.4 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.872 1.269 . . . . 0.0 114.216 175.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 67.3 tp -61.16 -44.72 96.87 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.365 1.066 . . . . 0.0 112.042 173.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -79.61 -31.75 41.74 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.239 1.016 . . . . 0.0 111.785 -177.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.05 -51.3 68.54 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.388 0.675 . . . . 0.0 111.404 167.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -56.36 -38.45 71.42 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.075 -1.016 . . . . 0.0 111.738 171.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.22 -1.1 1.99 Allowed Glycine 0 CA--C 1.538 1.507 0 C-N-CA 126.18 1.848 . . . . 0.0 117.229 174.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 pp . . . . . 0 N--CA 1.474 0.768 0 CA-C-N 119.261 1.531 . . . . 0.0 114.341 170.254 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.47 0.53 0 CA-C-O 119.099 -0.477 . . . . 0.0 112.181 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.266 0.0 OUTLIER 42.12 34.82 0.51 Allowed 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 127.934 2.494 . . . . 0.0 115.518 176.073 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.3 tp . . . . . 0 CA--C 1.542 0.651 0 C-N-CA 125.152 1.381 . . . . 0.0 114.34 -168.846 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 117.03 1.572 . . . . 0.0 117.03 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.53 -22.89 56.78 Favored 'General case' 0 CA--C 1.552 1.04 0 CA-C-N 118.691 1.245 . . . . 0.0 113.239 168.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.1 m -142.72 25.46 1.81 Allowed 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.323 1.849 . . . . 0.0 112.524 179.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -167.61 175.36 42.6 Favored Glycine 0 CA--C 1.542 1.731 0 N-CA-C 116.406 1.323 . . . . 0.0 116.406 -172.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -67.47 127.78 17.09 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 124.417 3.411 . . . . 0.0 112.872 -172.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -154.25 9.1 0.35 Allowed 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 115.268 1.581 . . . . 0.0 115.268 -174.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -119.37 19.94 12.63 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 125.151 1.38 . . . . 0.0 113.777 -166.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -135.51 164.42 27.85 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 126.379 1.871 . . . . 0.0 110.794 178.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -141.37 164.41 30.32 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.751 1.62 . . . . 0.0 111.132 177.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 57.1 m -62.7 143.92 56.9 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.965 0.906 . . . . 0.0 112.319 175.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -138.33 171.81 13.83 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 126.326 1.85 . . . . 0.0 111.523 -178.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.39 178.63 40.81 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 124.849 1.214 . . . . 0.0 113.696 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -133.26 21.19 4.03 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 125.771 1.628 . . . . 0.0 113.693 -171.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.484 0 N-CA-C 115.636 1.014 . . . . 0.0 115.636 177.281 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.1 m . . . . . 0 N--CA 1.487 1.392 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 5.6 t80 46.78 37.11 4.38 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 125.915 1.686 . . . . 0.0 113.547 -168.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 55.39 24.37 6.58 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 127.292 2.237 . . . . 0.0 116.328 172.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 26.1 m -54.63 -36.41 35.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 -179.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.61 -50.6 24.23 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.446 0.699 . . . . 0.0 111.861 175.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.7 tt -56.58 -43.16 79.79 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.269 1.028 . . . . 0.0 111.069 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.8 m -67.49 -12.72 60.99 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.27 1.428 . . . . 0.0 113.595 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -126.27 -68.09 0.83 Allowed 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.319 1.048 . . . . 0.0 113.526 -173.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 31.0 m . . . . . 0 N--CA 1.483 1.209 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -179.349 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.1 m . . . . . 0 N--CA 1.482 1.148 0 N-CA-C 116.092 1.886 . . . . 0.0 116.092 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 57.08 32.29 21.42 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.972 1.709 . . . . 0.0 114.621 -176.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.2 p -47.19 -31.04 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 125.894 1.678 . . . . 0.0 114.743 -178.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.38 -34.33 66.57 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 176.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 62.6 tp -64.83 -49.01 72.29 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.895 0.878 . . . . 0.0 111.436 174.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -68.02 -36.32 79.74 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.443 1.097 . . . . 0.0 112.081 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.78 -52.17 61.48 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.362 1.065 . . . . 0.0 111.753 171.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -56.07 -37.17 68.95 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.086 -1.009 . . . . 0.0 111.971 176.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.81 0.38 3.28 Favored Glycine 0 CA--C 1.539 1.536 0 N-CA-C 117.214 1.646 . . . . 0.0 117.214 175.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 CA--C 1.546 0.815 0 CA-C-N 119.261 1.531 . . . . 0.0 114.905 171.317 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 N--CA 1.471 0.579 0 CA-C-O 118.935 -0.555 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.275 0.0 OUTLIER 41.23 34.53 0.33 Allowed 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 127.14 2.176 . . . . 0.0 115.006 -177.149 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.2 tp . . . . . 0 CA--C 1.546 0.823 0 C-N-CA 125.684 1.594 . . . . 0.0 113.848 -171.08 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.271 0 N-CA-C 117.277 1.671 . . . . 0.0 117.277 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.48 -17.6 63.63 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 119.328 1.564 . . . . 0.0 114.225 177.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.0 m -140.65 15.49 2.34 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.044 1.338 . . . . 0.0 113.638 -171.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -176.01 175.26 47.34 Favored Glycine 0 CA--C 1.538 1.508 0 O-C-N 121.087 -1.008 . . . . 0.0 114.876 -178.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -62.01 141.86 90.57 Favored 'Trans proline' 0 CA--C 1.537 0.646 0 C-N-CA 123.706 2.937 . . . . 0.0 112.2 -178.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -157.35 6.23 0.15 Allowed 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 -172.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -107.59 16.69 23.5 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 125.599 1.56 . . . . 0.0 113.546 -170.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -135.89 162.36 33.05 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 126.749 2.02 . . . . 0.0 110.471 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -140.51 156.92 46.18 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.546 1.539 . . . . 0.0 110.394 173.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 68.8 m -62.64 146.36 52.29 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.362 1.065 . . . . 0.0 113.147 -178.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -136.36 174.4 10.65 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 126.658 1.983 . . . . 0.0 111.487 -176.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -164.24 177.71 39.84 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 124.652 1.12 . . . . 0.0 113.843 178.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -132.33 16.9 4.49 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 125.813 1.645 . . . . 0.0 113.906 -172.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.362 0 N-CA-C 115.544 0.978 . . . . 0.0 115.544 177.398 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.2 m . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 121.761 0.791 . . . . 0.0 111.859 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 t80 49.89 31.3 4.52 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.846 2.058 . . . . 0.0 114.811 -173.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 55.32 26.81 9.06 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.994 2.118 . . . . 0.0 115.788 172.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.2 m -56.6 -35.78 46.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 -178.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.7 -49.08 64.54 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.475 0.71 . . . . 0.0 111.909 175.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.1 tt -56.65 -42.95 79.78 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.124 0.97 . . . . 0.0 110.609 175.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.5 m -63.34 -24.06 67.69 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.006 1.322 . . . . 0.0 113.653 178.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -121.42 -62.45 1.42 Allowed 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 -170.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.1 m . . . . . 0 N--CA 1.482 1.159 0 CA-C-N 119.377 0.989 . . . . 0.0 113.587 179.988 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.7 m . . . . . 0 N--CA 1.483 1.213 0 N-CA-C 115.977 1.843 . . . . 0.0 115.977 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 53.49 35.09 19.83 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.987 1.715 . . . . 0.0 114.392 -176.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.6 p -48.17 -30.63 2.72 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 125.901 1.68 . . . . 0.0 115.028 -176.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.03 -27.65 46.14 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.938 1.295 . . . . 0.0 114.423 175.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.1 tp -60.45 -50.93 71.61 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.478 1.111 . . . . 0.0 112.016 174.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -72.42 -32.53 66.42 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 123.889 0.875 . . . . 0.0 111.729 -178.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.17 -51.46 66.3 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.587 0.755 . . . . 0.0 111.808 171.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -56.29 -36.72 68.94 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 121.093 -1.004 . . . . 0.0 111.883 173.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.28 -0.81 1.89 Allowed Glycine 0 CA--C 1.537 1.459 0 C-N-CA 126.059 1.79 . . . . 0.0 117.229 173.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 N--CA 1.475 0.789 0 CA-C-N 119.332 1.566 . . . . 0.0 114.75 170.124 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.471 0.579 0 CA-C-O 118.988 -0.53 . . . . 0.0 112.271 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.263 0.0 OUTLIER 41.91 33.59 0.36 Allowed 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 127.188 2.195 . . . . 0.0 115.312 -179.81 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.4 tp . . . . . 0 CA--C 1.544 0.713 0 C-N-CA 126.061 1.744 . . . . 0.0 114.1 -171.536 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.152 0 N-CA-C 116.303 1.281 . . . . 0.0 116.303 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.48 -15.39 63.53 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-N 118.667 1.234 . . . . 0.0 113.958 175.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.0 m -139.24 3.86 2.19 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 -168.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 174.55 -173.95 46.32 Favored Glycine 0 CA--C 1.541 1.673 0 N-CA-C 116.404 1.322 . . . . 0.0 116.404 -177.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -44.6 127.35 7.75 Favored 'Trans proline' 0 C--N 1.353 0.776 1 C-N-CA 126.127 4.551 . . . . 0.0 115.411 -179.378 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -155.36 -1.58 0.15 Allowed 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 115.292 1.59 . . . . 0.0 115.292 -177.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -95.97 15.02 21.69 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 125.172 1.389 . . . . 0.0 114.194 -166.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -137.92 164.77 28.16 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.343 1.857 . . . . 0.0 111.231 -178.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -138.62 163.2 32.69 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.78 1.632 . . . . 0.0 110.234 175.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.1 m -64.35 142.96 58.23 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.913 0.885 . . . . 0.0 112.849 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -138.47 174.31 10.68 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 126.812 2.045 . . . . 0.0 111.302 -177.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -167.22 177.99 41.56 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 124.586 1.089 . . . . 0.0 113.832 177.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -130.16 11.22 5.46 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 125.91 1.684 . . . . 0.0 114.12 -174.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.477 0 N-CA-C 115.48 0.952 . . . . 0.0 115.48 178.405 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 33.8 m . . . . . 0 N--CA 1.488 1.441 0 CA-C-O 121.378 0.609 . . . . 0.0 112.297 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.3 t80 45.33 34.26 1.46 Allowed 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 127.187 2.195 . . . . 0.0 114.768 -171.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 58.17 16.68 4.05 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 127.327 2.251 . . . . 0.0 116.244 172.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.4 m -55.18 -36.39 39.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 N-CA-C 114.236 1.198 . . . . 0.0 114.236 -173.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.47 -44.57 70.92 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.597 0.759 . . . . 0.0 112.242 175.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 tt -58.76 -44.13 90.5 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.155 0.982 . . . . 0.0 110.756 177.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.7 m -66.69 -15.19 63.33 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.092 1.357 . . . . 0.0 113.973 177.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -125.14 -68.87 0.82 Allowed 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.074 1.138 . . . . 0.0 114.074 -171.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.4 m . . . . . 0 N--CA 1.482 1.145 0 CA-C-N 119.557 1.071 . . . . 0.0 113.73 179.934 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 29.8 m . . . . . 0 N--CA 1.482 1.145 0 N-CA-C 116.137 1.903 . . . . 0.0 116.137 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 57.01 31.8 20.55 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.834 1.653 . . . . 0.0 114.256 -175.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.0 p -48.96 -32.48 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 125.26 1.424 . . . . 0.0 114.075 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.48 -32.37 66.9 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 175.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 67.4 tp -65.58 -50.44 65.1 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.899 0.88 . . . . 0.0 111.173 175.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -69.95 -33.34 71.99 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.102 0.961 . . . . 0.0 112.206 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.14 -50.76 69.17 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.138 0.975 . . . . 0.0 111.731 169.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -56.54 -37.17 70.14 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.649 1.113 . . . . 0.0 111.846 173.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.75 1.98 2.15 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 125.798 1.666 . . . . 0.0 117.087 174.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.6 pp . . . . . 0 CA--C 1.543 0.682 0 CA-C-N 119.189 1.494 . . . . 0.0 114.285 169.085 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.468 0.449 0 CA-C-O 118.618 -0.706 . . . . 0.0 112.428 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.258 0.0 OUTLIER 40.82 35.02 0.3 Allowed 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 127.234 2.214 . . . . 0.0 114.935 -179.869 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.2 tp . . . . . 0 CA--C 1.546 0.804 0 C-N-CA 125.572 1.549 . . . . 0.0 113.957 -167.216 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.275 0 N-CA-C 116.512 1.365 . . . . 0.0 116.512 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.05 -16.15 63.1 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 118.942 1.371 . . . . 0.0 114.08 175.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.8 m -140.59 10.75 2.27 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.885 1.274 . . . . 0.0 114.266 -169.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -178.76 178.97 48.88 Favored Glycine 0 CA--C 1.539 1.543 0 N-CA-C 115.506 0.962 . . . . 0.0 115.506 -176.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -63.4 141.31 80.69 Favored 'Trans proline' 0 CA--C 1.538 0.699 0 C-N-CA 124.183 3.256 . . . . 0.0 112.267 -178.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -157.04 7.09 0.16 Allowed 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 -168.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -104.45 9.11 35.74 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 114.804 1.409 . . . . 0.0 114.804 -164.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -137.57 168.21 20.12 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 126.285 1.834 . . . . 0.0 111.029 -176.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -141.85 158.55 43.66 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.222 1.409 . . . . 0.0 111.474 176.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 27.1 m -56.5 145.58 27.45 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.831 1.253 . . . . 0.0 113.218 175.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -139.14 174.6 10.34 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 126.498 1.919 . . . . 0.0 111.495 178.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -164.16 175.14 40.29 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 124.783 1.182 . . . . 0.0 113.496 177.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -130.99 4.93 4.5 Favored 'General case' 0 N--CA 1.483 1.225 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 -171.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.467 0 N-CA-C 116.476 1.35 . . . . 0.0 116.476 -179.98 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.8 m . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 121.244 0.545 . . . . 0.0 111.913 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 18.7 t80 47.45 35.74 4.41 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 126.222 1.809 . . . . 0.0 114.02 -170.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 56.89 18.72 4.03 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 126.907 2.083 . . . . 0.0 115.998 172.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.8 m -52.26 -35.91 20.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 N-CA-C 115.232 1.567 . . . . 0.0 115.232 -170.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.05 -46.17 62.5 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.918 0.781 . . . . 0.0 112.306 175.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.5 tt -57.6 -45.94 84.68 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.514 1.125 . . . . 0.0 110.678 177.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.1 m -69.65 -6.91 34.59 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.063 1.345 . . . . 0.0 113.883 178.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -128.45 -71.32 0.65 Allowed 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 119.74 1.154 . . . . 0.0 113.837 -175.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 17.4 m . . . . . 0 N--CA 1.483 1.217 0 CA-C-N 119.565 1.075 . . . . 0.0 113.709 -179.564 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.2 m . . . . . 0 N--CA 1.481 1.12 0 N-CA-C 115.942 1.83 . . . . 0.0 115.942 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 55.51 37.05 28.36 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.59 1.556 . . . . 0.0 114.315 -176.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.9 p -45.22 -30.83 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 126.392 1.877 . . . . 0.0 114.906 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.9 -35.57 61.76 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.849 1.26 . . . . 0.0 114.33 175.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 51.4 tp -63.0 -50.45 70.69 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.097 0.959 . . . . 0.0 111.522 175.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -71.58 -28.38 63.79 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.067 0.947 . . . . 0.0 112.205 -176.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.41 -52.97 26.96 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.88 0.872 . . . . 0.0 112.139 166.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -55.47 -37.55 67.92 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 120.924 -1.11 . . . . 0.0 112.528 178.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.27 2.48 3.04 Favored Glycine 0 CA--C 1.539 1.574 0 N-CA-C 116.633 1.413 . . . . 0.0 116.633 176.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.8 pp . . . . . 0 CA--C 1.542 0.663 0 CA-C-N 118.91 1.355 . . . . 0.0 113.878 168.175 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 . . . . . 0 N--CA 1.469 0.477 0 CA-C-O 118.963 -0.541 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.263 0.0 OUTLIER 41.46 28.81 0.08 Allowed 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 126.563 1.945 . . . . 0.0 115.522 -174.252 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 34.7 tp . . . . . 0 CA--C 1.546 0.791 0 C-N-CA 126.693 1.997 . . . . 0.0 113.458 -174.895 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.27 0 N-CA-C 116.524 1.369 . . . . 0.0 116.524 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.11 -14.59 63.09 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-N 118.99 1.395 . . . . 0.0 113.991 175.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.5 m -140.44 12.71 2.35 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.149 1.38 . . . . 0.0 114.069 -171.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -176.48 176.8 47.94 Favored Glycine 0 CA--C 1.541 1.677 0 O-C-N 120.969 -1.082 . . . . 0.0 115.175 -178.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -59.78 144.79 99.38 Favored 'Trans proline' 0 CA--C 1.538 0.707 0 C-N-CA 123.365 2.71 . . . . 0.0 111.749 178.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -157.35 14.74 0.25 Allowed 'General case' 0 CA--C 1.551 1.004 0 N-CA-C 114.997 1.481 . . . . 0.0 114.997 -171.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -120.09 20.32 12.11 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 125.126 1.37 . . . . 0.0 114.268 -166.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -138.54 167.15 22.55 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 126.698 1.999 . . . . 0.0 110.565 175.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -142.06 155.62 45.39 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.472 1.509 . . . . 0.0 110.733 177.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.2 m -56.61 146.27 25.81 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.493 1.517 . . . . 0.0 114.076 -178.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -139.3 174.0 10.97 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 126.197 1.799 . . . . 0.0 112.459 -176.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.03 179.53 41.19 Favored Glycine 0 CA--C 1.539 1.556 0 C-N-CA 125.89 1.71 . . . . 0.0 112.686 175.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -129.43 11.85 5.88 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 125.281 1.432 . . . . 0.0 114.552 -174.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.461 0 N-CA-C 116.246 1.258 . . . . 0.0 116.246 178.591 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 31.7 m . . . . . 0 N--CA 1.489 1.48 0 CA-C-O 121.387 0.613 . . . . 0.0 111.87 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 47.9 32.64 2.86 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 126.256 1.822 . . . . 0.0 114.393 -171.545 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 56.72 21.33 5.81 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 127.141 2.176 . . . . 0.0 115.964 177.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 29.6 m -59.47 -32.96 49.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 O-C-N 120.751 -1.218 . . . . 0.0 113.179 178.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.74 -47.95 73.55 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.686 0.794 . . . . 0.0 111.951 174.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.0 tt -56.69 -44.34 81.38 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.944 0.898 . . . . 0.0 110.273 173.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.1 m -63.56 -21.77 66.53 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.114 1.366 . . . . 0.0 113.8 179.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -123.42 -65.23 1.1 Allowed 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 -170.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.9 m . . . . . 0 N--CA 1.483 1.22 0 CA-C-N 119.54 1.063 . . . . 0.0 113.683 -179.391 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.4 m . . . . . 0 N--CA 1.481 1.109 0 N-CA-C 115.663 1.727 . . . . 0.0 115.663 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 54.54 37.95 28.89 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.94 1.696 . . . . 0.0 114.354 -176.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.2 p -45.86 -33.07 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 C-N-CA 125.688 1.595 . . . . 0.0 114.804 -179.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.38 -29.31 63.96 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 114.337 1.236 . . . . 0.0 114.337 175.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.1 tp -61.97 -51.11 69.39 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.65 1.18 . . . . 0.0 111.355 174.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -70.34 -34.43 72.66 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.105 0.962 . . . . 0.0 111.959 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.75 -51.23 69.18 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.473 0.709 . . . . 0.0 111.74 171.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -57.1 -37.33 71.78 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.048 -1.033 . . . . 0.0 111.847 173.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.86 0.61 4.11 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 125.518 1.532 . . . . 0.0 116.91 175.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 pp . . . . . 0 CA--C 1.546 0.826 0 CA-C-N 119.273 1.536 . . . . 0.0 114.834 171.085 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.469 0.522 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.275 0.0 OUTLIER 40.84 34.41 0.27 Allowed 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 127.272 2.229 . . . . 0.0 115.372 -179.053 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 33.6 tp . . . . . 0 CA--C 1.544 0.737 0 C-N-CA 126.106 1.762 . . . . 0.0 113.997 -172.642 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.261 0 N-CA-C 117.152 1.621 . . . . 0.0 117.152 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.41 -21.42 64.68 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 119.085 1.442 . . . . 0.0 113.969 177.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.5 m -144.35 14.99 1.64 Allowed 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.811 1.244 . . . . 0.0 114.309 -169.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -171.62 176.3 44.85 Favored Glycine 0 CA--C 1.54 1.595 0 O-C-N 120.916 -1.115 . . . . 0.0 115.305 -176.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -64.59 135.04 43.69 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 123.897 3.065 . . . . 0.0 111.957 -175.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -155.44 11.09 0.32 Allowed 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 -174.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -110.16 17.98 20.43 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 125.295 1.438 . . . . 0.0 113.725 -167.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -136.31 165.28 26.14 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 126.967 2.107 . . . . 0.0 110.339 177.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -141.32 160.44 40.11 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.278 1.431 . . . . 0.0 110.418 175.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 67.6 m -63.98 143.94 57.48 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.281 1.032 . . . . 0.0 112.682 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 -135.16 173.88 11.23 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 126.52 1.928 . . . . 0.0 111.393 -176.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.34 178.17 43.19 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 124.427 1.013 . . . . 0.0 113.936 177.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -130.76 13.12 5.34 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.878 1.671 . . . . 0.0 113.853 -175.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.38 0 C-N-CA 124.111 0.862 . . . . 0.0 115.214 176.858 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.4 m . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 121.72 0.771 . . . . 0.0 111.723 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.1 t80 46.9 31.99 1.68 Allowed 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 127.128 2.171 . . . . 0.0 114.902 -171.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 55.34 24.69 6.77 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 126.893 2.077 . . . . 0.0 115.694 174.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 31.2 m -57.89 -38.06 64.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -177.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.95 -42.63 69.52 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.472 0.709 . . . . 0.0 112.186 176.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.9 tt -58.57 -44.01 89.61 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.134 0.974 . . . . 0.0 110.43 175.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.5 m -65.05 -19.03 65.79 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.184 1.394 . . . . 0.0 113.535 177.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -118.93 -72.62 0.68 Allowed 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.283 1.033 . . . . 0.0 113.403 -171.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.2 m . . . . . 0 N--CA 1.482 1.171 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 -178.246 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.0 m . . . . . 0 N--CA 1.48 1.073 0 N-CA-C 115.829 1.789 . . . . 0.0 115.829 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 54.17 36.89 26.01 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.771 1.629 . . . . 0.0 113.939 -175.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.0 p -45.11 -33.75 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 126.067 1.747 . . . . 0.0 114.663 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.45 -31.94 64.45 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 114.269 1.211 . . . . 0.0 114.269 176.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.9 tp -61.16 -52.75 63.54 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.344 1.057 . . . . 0.0 111.247 175.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -70.13 -36.36 74.72 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.599 1.159 . . . . 0.0 111.996 -178.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.9 -49.94 70.7 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.984 0.914 . . . . 0.0 111.998 173.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -58.09 -36.9 73.52 Favored 'General case' 0 N--CA 1.471 0.625 0 O-C-N 121.022 -1.049 . . . . 0.0 111.501 173.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.52 1.67 2.14 Favored Glycine 0 CA--C 1.539 1.533 0 C-N-CA 125.855 1.693 . . . . 0.0 116.987 174.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.8 pp . . . . . 0 N--CA 1.473 0.7 0 CA-C-N 119.349 1.574 . . . . 0.0 114.424 168.784 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.469 0.516 0 CA-C-O 118.976 -0.535 . . . . 0.0 112.173 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.267 0.0 OUTLIER 41.23 36.33 0.48 Allowed 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 127.554 2.342 . . . . 0.0 114.89 179.562 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 23.8 tp . . . . . 0 CA--C 1.545 0.759 0 C-N-CA 125.379 1.472 . . . . 0.0 114.448 -166.045 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.197 0 N-CA-C 117.053 1.581 . . . . 0.0 117.053 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.65 -22.88 66.1 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 119.012 1.406 . . . . 0.0 113.992 178.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.1 m -145.17 14.05 1.45 Allowed 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.894 1.277 . . . . 0.0 114.256 -170.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -170.57 177.67 43.59 Favored Glycine 0 CA--C 1.54 1.621 0 O-C-N 120.822 -1.174 . . . . 0.0 115.752 -174.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -65.56 136.0 44.54 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 124.076 3.184 . . . . 0.0 112.5 -173.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -156.87 13.98 0.27 Allowed 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 -174.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -110.43 14.84 22.48 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 -163.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -136.94 167.04 22.24 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.414 1.886 . . . . 0.0 110.887 178.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -142.03 161.94 36.72 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.641 1.576 . . . . 0.0 110.471 174.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.4 m -58.91 145.83 39.91 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.604 1.162 . . . . 0.0 112.979 176.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -135.5 175.2 9.81 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 126.305 1.842 . . . . 0.0 111.938 -176.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -164.41 176.53 40.3 Favored Glycine 0 CA--C 1.537 1.446 0 C-N-CA 125.113 1.339 . . . . 0.0 113.847 178.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -133.5 9.68 4.0 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 125.509 1.524 . . . . 0.0 114.848 -171.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.566 0 N-CA-C 116.566 1.387 . . . . 0.0 116.566 -179.193 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.9 m . . . . . 0 N--CA 1.488 1.465 0 CA-C-O 121.403 0.62 . . . . 0.0 112.029 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER 44.78 33.17 0.92 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 127.357 2.263 . . . . 0.0 115.121 -171.397 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 58.19 19.63 6.34 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.958 2.103 . . . . 0.0 115.612 172.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 33.8 m -59.55 -35.31 58.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 O-C-N 121.128 -0.982 . . . . 0.0 113.601 -175.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.92 -48.76 65.06 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.467 0.707 . . . . 0.0 111.736 175.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.3 tt -56.33 -43.12 78.7 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.043 0.937 . . . . 0.0 110.482 174.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 35.9 m -63.53 -22.79 67.09 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.169 1.388 . . . . 0.0 113.758 178.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -122.31 -63.93 1.24 Allowed 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 -169.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.5 m . . . . . 0 N--CA 1.483 1.206 0 CA-C-N 119.445 1.02 . . . . 0.0 113.478 178.955 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.8 m . . . . . 0 N--CA 1.482 1.163 0 N-CA-C 115.896 1.813 . . . . 0.0 115.896 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 56.8 34.93 25.51 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.281 1.833 . . . . 0.0 114.61 -177.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.2 p -44.75 -34.81 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 C-N-CA 125.776 1.63 . . . . 0.0 114.903 -179.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.95 -34.25 69.72 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 177.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.5 tp -63.32 -46.33 87.17 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.08 0.952 . . . . 0.0 111.545 175.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -75.22 -32.76 61.25 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.049 0.94 . . . . 0.0 112.159 -177.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.63 -51.52 66.95 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.773 0.829 . . . . 0.0 111.444 167.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -58.1 -36.13 72.44 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.081 -1.012 . . . . 0.0 111.968 174.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.51 -0.9 2.94 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 126.302 1.906 . . . . 0.0 116.867 174.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.6 pp . . . . . 0 CA--C 1.542 0.66 0 CA-C-N 119.163 1.482 . . . . 0.0 114.277 169.775 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.469 0.523 0 CA-C-O 118.817 -0.611 . . . . 0.0 112.559 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.257 0.0 OUTLIER 40.82 36.83 0.44 Allowed 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 127.473 2.309 . . . . 0.0 114.93 178.228 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.4 tp . . . . . 0 CA--C 1.543 0.694 0 C-N-CA 125.271 1.429 . . . . 0.0 114.412 -164.765 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.207 0 N-CA-C 116.843 1.497 . . . . 0.0 116.843 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.31 -24.41 67.27 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 119.077 1.438 . . . . 0.0 113.829 177.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.0 m -145.1 16.69 1.55 Allowed 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.058 1.343 . . . . 0.0 113.932 -172.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -170.38 175.68 44.22 Favored Glycine 0 CA--C 1.542 1.732 0 N-CA-C 116.181 1.232 . . . . 0.0 116.181 -175.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -65.9 135.07 39.69 Favored 'Trans proline' 0 CA--C 1.54 0.791 0 C-N-CA 124.424 3.416 . . . . 0.0 112.698 -174.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -154.33 4.56 0.26 Allowed 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 115.691 1.737 . . . . 0.0 115.691 -170.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -106.66 14.79 26.5 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.875 1.27 . . . . 0.0 114.381 -167.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -135.59 162.06 33.77 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 126.113 1.765 . . . . 0.0 111.537 -176.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -144.56 152.88 41.19 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.71 1.604 . . . . 0.0 110.889 175.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.8 m -55.05 148.65 13.35 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 126.371 1.868 . . . . 0.0 115.091 -176.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -138.02 176.37 8.76 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 127.028 2.131 . . . . 0.0 111.56 -178.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.36 -178.09 39.87 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 124.471 1.034 . . . . 0.0 114.148 179.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 -126.74 4.2 6.7 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 125.708 1.603 . . . . 0.0 114.955 -174.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.571 0 N-CA-C 116.215 1.246 . . . . 0.0 116.215 -179.626 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.7 m . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 121.783 0.801 . . . . 0.0 111.249 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.2 t80 38.87 37.13 0.18 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 128.447 2.699 . . . . 0.0 115.268 -167.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 57.72 18.28 4.69 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 126.645 1.978 . . . . 0.0 115.427 172.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 31.3 m -61.4 -36.56 73.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 O-C-N 121.014 -1.054 . . . . 0.0 113.389 -173.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.94 -45.75 69.96 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.582 0.753 . . . . 0.0 111.868 175.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.5 tt -56.12 -43.74 78.45 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.459 1.104 . . . . 0.0 110.538 174.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.8 m -66.14 -22.76 66.39 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.007 1.323 . . . . 0.0 113.709 178.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -119.66 -66.17 1.09 Allowed 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 -169.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.3 m . . . . . 0 N--CA 1.482 1.167 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 179.248 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.2 m . . . . . 0 N--CA 1.483 1.188 0 N-CA-C 116.146 1.906 . . . . 0.0 116.146 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 54.21 37.4 27.15 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.949 1.7 . . . . 0.0 114.423 -175.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.8 p -44.9 -35.36 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.215 0 C-N-CA 126.214 1.806 . . . . 0.0 114.804 -178.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.96 -26.78 64.74 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 114.578 1.325 . . . . 0.0 114.578 177.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.4 tp -64.98 -46.34 81.87 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.05 0.94 . . . . 0.0 111.851 176.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -70.71 -33.87 71.32 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.642 0.777 . . . . 0.0 111.627 178.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.88 -50.1 72.23 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.361 0.664 . . . . 0.0 111.807 170.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -55.59 -38.89 70.0 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 121.142 -0.974 . . . . 0.0 111.941 173.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.49 2.7 3.1 Favored Glycine 0 CA--C 1.536 1.398 0 N-CA-C 117.021 1.568 . . . . 0.0 117.021 176.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.6 pp . . . . . 0 CA--C 1.542 0.654 0 CA-C-N 119.088 1.444 . . . . 0.0 114.452 169.634 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.468 0.443 0 CA-C-O 119.081 -0.485 . . . . 0.0 112.092 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.273 0.0 OUTLIER 40.03 35.91 0.27 Allowed 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 127.496 2.318 . . . . 0.0 115.063 -179.459 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.3 tp . . . . . 0 CA--C 1.544 0.713 0 C-N-CA 125.883 1.673 . . . . 0.0 113.938 -170.74 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.219 0 N-CA-C 117.248 1.659 . . . . 0.0 117.248 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.2 -20.5 65.72 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-N 119.138 1.469 . . . . 0.0 113.911 177.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.0 m -143.01 16.13 1.92 Allowed 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.873 1.269 . . . . 0.0 114.004 -171.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -171.85 172.22 44.56 Favored Glycine 0 CA--C 1.541 1.7 0 O-C-N 120.914 -1.116 . . . . 0.0 115.467 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -56.3 138.01 82.03 Favored 'Trans proline' 0 CA--C 1.539 0.75 0 C-N-CA 124.318 3.345 . . . . 0.0 112.934 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -157.57 12.43 0.21 Allowed 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 115.246 1.573 . . . . 0.0 115.246 -171.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -116.17 16.98 15.89 Favored 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 114.81 1.411 . . . . 0.0 114.81 -163.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -136.6 170.55 15.88 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 126.058 1.743 . . . . 0.0 110.778 174.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -143.14 152.88 42.29 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.264 1.426 . . . . 0.0 110.693 175.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 41.9 m -53.33 146.6 11.87 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.678 1.591 . . . . 0.0 114.88 -177.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.3 mmt180 -138.19 176.89 8.3 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 126.845 2.058 . . . . 0.0 111.49 -178.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -164.55 178.21 39.86 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 124.697 1.141 . . . . 0.0 113.778 177.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -131.04 14.29 5.21 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 125.753 1.621 . . . . 0.0 114.108 -173.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.494 0 N-CA-C 115.404 0.922 . . . . 0.0 115.404 177.291 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 26.8 m . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 121.827 0.822 . . . . 0.0 111.374 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 8.9 t80 41.38 39.47 1.03 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 127.878 2.471 . . . . 0.0 115.002 -169.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 59.21 19.55 7.6 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.259 1.824 . . . . 0.0 115.759 167.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.5 m -57.61 -36.72 55.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -174.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.1 -48.59 42.8 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.471 0.708 . . . . 0.0 111.94 174.132 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.4 tt -55.85 -40.59 73.11 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.638 1.175 . . . . 0.0 111.243 178.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.4 m -69.83 -14.6 62.83 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.227 1.411 . . . . 0.0 113.626 178.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -125.61 -57.28 1.46 Allowed 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 -169.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.3 m . . . . . 0 N--CA 1.482 1.149 0 CA-C-N 119.356 0.98 . . . . 0.0 113.323 176.801 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 30.8 m . . . . . 0 N--CA 1.483 1.225 0 N-CA-C 115.918 1.822 . . . . 0.0 115.918 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 55.16 39.01 31.31 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.811 1.644 . . . . 0.0 114.56 -177.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.4 p -44.57 -32.17 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 C-N-CA 126.4 1.88 . . . . 0.0 114.822 177.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.3 -35.25 62.43 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.689 1.196 . . . . 0.0 114.075 175.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.6 tp -62.27 -49.53 75.32 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.95 0.9 . . . . 0.0 111.592 175.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -72.15 -32.07 66.56 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.913 0.885 . . . . 0.0 112.134 -176.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.98 -53.81 40.33 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.705 0.802 . . . . 0.0 111.803 168.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -56.59 -37.35 70.5 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 121.245 -0.909 . . . . 0.0 112.252 176.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.8 1.38 3.37 Favored Glycine 0 CA--C 1.539 1.536 0 C-N-CA 126.003 1.763 . . . . 0.0 116.785 177.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 pp . . . . . 0 CA--C 1.543 0.675 0 CA-C-N 118.822 1.311 . . . . 0.0 114.076 167.927 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.47 0.567 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.273 0.0 OUTLIER 41.1 35.83 0.41 Allowed 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 127.818 2.447 . . . . 0.0 115.468 176.485 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 37.9 tp . . . . . 0 CA--C 1.544 0.749 0 C-N-CA 125.819 1.648 . . . . 0.0 114.407 -170.609 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.183 0 N-CA-C 117.027 1.571 . . . . 0.0 117.027 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.44 -12.98 62.11 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 118.986 1.393 . . . . 0.0 113.973 174.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.8 m -139.49 5.83 2.26 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 -169.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 178.66 179.75 48.56 Favored Glycine 0 CA--C 1.541 1.668 0 N-CA-C 116.106 1.202 . . . . 0.0 116.106 -179.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -51.53 131.79 38.2 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 124.934 3.756 . . . . 0.0 113.759 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -156.41 6.73 0.19 Allowed 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 115.043 1.497 . . . . 0.0 115.043 -175.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -112.71 21.66 15.33 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 125.133 1.373 . . . . 0.0 113.721 -167.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -136.13 164.67 27.51 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 126.728 2.011 . . . . 0.0 110.17 173.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -141.89 158.32 43.92 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.451 1.501 . . . . 0.0 110.509 175.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.4 m -56.46 148.34 19.53 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.953 1.301 . . . . 0.0 114.403 -177.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -138.2 170.99 15.07 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 126.345 1.858 . . . . 0.0 112.212 -177.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.48 179.58 40.36 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 125.692 1.615 . . . . 0.0 112.857 178.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -132.74 23.61 4.3 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 125.391 1.477 . . . . 0.0 113.707 -171.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.401 0 N-CA-C 115.711 1.044 . . . . 0.0 115.711 177.78 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.7 m . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 121.722 0.772 . . . . 0.0 111.662 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.3 t80 42.69 41.13 2.3 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 127.55 2.34 . . . . 0.0 115.127 -171.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 59.61 22.86 11.57 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 115.492 1.664 . . . . 0.0 115.492 163.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 20.5 m -54.87 -26.12 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 N-CA-C 115.418 1.636 . . . . 0.0 115.418 -172.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -88.53 -46.46 9.08 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.664 0.786 . . . . 0.0 112.553 171.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 tt -57.9 -45.15 86.89 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.444 1.098 . . . . 0.0 111.473 -178.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.1 m -71.19 -10.41 59.71 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.014 1.326 . . . . 0.0 113.498 178.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -124.3 -74.4 0.61 Allowed 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.029 -1.044 . . . . 0.0 113.256 -171.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 18.4 m . . . . . 0 N--CA 1.481 1.088 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 179.874 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.6 m . . . . . 0 N--CA 1.483 1.2 0 N-CA-C 115.816 1.784 . . . . 0.0 115.816 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 55.12 38.04 29.85 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.99 1.716 . . . . 0.0 114.262 -176.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.6 p -47.48 -30.81 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 125.748 1.619 . . . . 0.0 114.985 -177.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.2 -28.56 53.9 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.905 1.282 . . . . 0.0 114.26 174.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 67.6 tp -61.37 -45.88 92.52 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.434 1.093 . . . . 0.0 112.113 174.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -74.62 -31.7 62.08 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 123.483 0.713 . . . . 0.0 111.972 -178.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.78 -51.76 65.84 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.236 0.615 . . . . 0.0 111.478 168.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -56.78 -38.24 72.23 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.037 -1.04 . . . . 0.0 111.99 173.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.59 2.42 3.44 Favored Glycine 0 CA--C 1.538 1.479 0 C-N-CA 125.75 1.643 . . . . 0.0 116.854 176.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 CA--C 1.542 0.642 0 CA-C-N 118.957 1.379 . . . . 0.0 114.305 170.057 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.469 0.525 0 CA-C-O 119.371 -0.347 . . . . 0.0 111.522 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.27 0.0 OUTLIER 41.99 31.78 0.25 Allowed 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 127.746 2.418 . . . . 0.0 115.506 -179.757 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.3 tp . . . . . 0 CA--C 1.543 0.691 0 C-N-CA 126.312 1.845 . . . . 0.0 114.233 -171.39 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.207 0 N-CA-C 116.174 1.23 . . . . 0.0 116.174 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.68 -24.52 67.6 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 118.636 1.218 . . . . 0.0 113.897 178.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.2 m -145.23 13.22 1.41 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.821 1.248 . . . . 0.0 114.215 -171.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -171.35 179.07 43.37 Favored Glycine 0 CA--C 1.54 1.607 0 N-CA-C 116.457 1.343 . . . . 0.0 116.457 -172.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -64.47 135.97 48.43 Favored 'Trans proline' 0 CA--C 1.537 0.646 0 C-N-CA 124.483 3.455 . . . . 0.0 112.594 -173.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -156.87 11.36 0.23 Allowed 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 -174.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -119.37 27.65 8.67 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 125.297 1.439 . . . . 0.0 113.711 -166.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 57.4 mttp -138.22 164.02 30.25 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 127.306 2.242 . . . . 0.0 109.88 174.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -143.09 151.9 41.25 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.093 1.357 . . . . 0.0 110.23 174.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.8 m -55.56 147.04 18.84 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 125.504 1.522 . . . . 0.0 114.493 -177.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 -138.5 173.16 11.89 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 126.062 1.745 . . . . 0.0 112.756 -175.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -164.61 179.51 39.3 Favored Glycine 0 CA--C 1.538 1.52 0 C-N-CA 126.22 1.867 . . . . 0.0 112.514 176.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -129.23 8.08 5.51 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 114.997 1.48 . . . . 0.0 114.997 -171.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.405 0 N-CA-C 116.078 1.191 . . . . 0.0 116.078 177.835 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.0 m . . . . . 0 N--CA 1.487 1.39 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 26.3 t80 48.09 36.14 6.1 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 126.19 1.796 . . . . 0.0 114.257 -169.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 54.29 30.67 12.87 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 126.14 1.776 . . . . 0.0 115.683 167.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 24.0 m -58.33 -5.2 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.225 0 N-CA-C 116.519 2.044 . . . . 0.0 116.519 -177.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -118.43 -35.63 3.72 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.84 1.256 . . . . 0.0 113.422 171.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.9 tt -67.88 -48.1 67.01 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.293 1.037 . . . . 0.0 111.027 176.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 38.1 m -69.44 -24.34 63.8 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 121.085 -1.009 . . . . 0.0 112.772 176.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -104.71 -69.88 0.79 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.838 0.855 . . . . 0.0 113.253 -171.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.481 1.116 0 O-C-N 121.185 -0.947 . . . . 0.0 112.082 -174.529 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.7 m . . . . . 0 N--CA 1.481 1.105 0 N-CA-C 115.505 1.668 . . . . 0.0 115.505 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 56.95 43.17 25.11 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.668 1.587 . . . . 0.0 113.932 -177.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.8 p -43.32 -32.57 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 126.03 1.732 . . . . 0.0 114.139 173.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.18 -34.71 64.08 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.83 1.252 . . . . 0.0 114.23 175.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.1 tp -65.84 -49.09 69.43 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.704 1.138 . . . . 0.0 111.572 176.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -66.39 -37.55 85.51 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.034 0.934 . . . . 0.0 111.867 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.68 -53.06 53.39 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.967 0.907 . . . . 0.0 112.09 172.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -56.28 -35.86 67.96 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.078 -1.014 . . . . 0.0 112.242 176.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.63 -0.78 2.96 Favored Glycine 0 CA--C 1.538 1.471 0 N-CA-C 117.084 1.594 . . . . 0.0 117.084 174.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 pp . . . . . 0 N--CA 1.472 0.631 0 CA-C-N 119.042 1.421 . . . . 0.0 114.355 168.292 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 . . . . . 0 N--CA 1.472 0.644 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.282 0.0 OUTLIER 41.5 32.89 0.25 Allowed 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 127.404 2.281 . . . . 0.0 115.458 -175.76 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 35.5 tp . . . . . 0 CA--C 1.545 0.781 0 C-N-CA 125.955 1.702 . . . . 0.0 113.686 -175.53 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.295 0 N-CA-C 117.295 1.678 . . . . 0.0 117.295 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.41 -15.82 63.61 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 119.1 1.45 . . . . 0.0 114.403 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.0 m -147.27 22.96 1.18 Allowed 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.534 1.534 . . . . 0.0 113.384 -178.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -172.09 172.18 44.62 Favored Glycine 0 CA--C 1.539 1.59 0 O-C-N 120.879 -1.138 . . . . 0.0 115.228 179.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -53.83 139.87 68.43 Favored 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 124.307 3.338 . . . . 0.0 113.276 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -157.2 11.69 0.22 Allowed 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 114.467 1.284 . . . . 0.0 114.467 -174.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -122.25 21.32 10.41 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 125.622 1.569 . . . . 0.0 113.532 -166.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -133.96 166.59 22.34 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 127.192 2.197 . . . . 0.0 110.313 173.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -141.81 162.52 35.28 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.822 1.249 . . . . 0.0 110.807 179.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 45.0 m -62.06 144.32 55.39 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.814 0.846 . . . . 0.0 112.403 173.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -138.47 172.71 12.49 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 126.447 1.899 . . . . 0.0 111.215 -179.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -165.33 177.63 40.61 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 124.628 1.109 . . . . 0.0 113.705 179.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -131.45 11.48 4.91 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 125.499 1.52 . . . . 0.0 114.134 -171.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.638 0 N-CA-C 115.48 0.952 . . . . 0.0 115.48 178.601 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 13.3 m . . . . . 0 N--CA 1.493 1.686 0 N-CA-C 111.501 0.186 . . . . 0.0 111.501 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.6 m -133.25 18.98 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 C-N-CA 125.565 1.546 . . . . 0.0 112.269 175.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 11.7 t80 44.53 36.32 1.66 Allowed 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 126.527 1.931 . . . . 0.0 114.144 -167.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 56.27 20.46 4.61 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 127.129 2.172 . . . . 0.0 116.17 173.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.1 m -52.73 -36.51 23.14 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 N-CA-C 114.622 1.341 . . . . 0.0 114.622 -174.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.68 -47.07 56.68 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.313 0.645 . . . . 0.0 112.17 174.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 tt -58.26 -43.54 87.93 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.427 1.091 . . . . 0.0 111.185 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.4 m -65.47 -16.88 64.1 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.724 1.209 . . . . 0.0 113.843 177.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -120.16 -68.91 0.88 Allowed 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.225 1.01 . . . . 0.0 113.574 -171.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 16.7 m -76.03 -9.0 12.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.4 m 40.89 37.59 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 127.588 2.355 . . . . 0.0 116.21 172.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 56.27 30.89 17.5 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 126.005 1.722 . . . . 0.0 114.832 -177.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.9 p -50.65 -25.17 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 126.13 1.772 . . . . 0.0 115.188 -178.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.91 -30.08 44.75 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.53 1.132 . . . . 0.0 113.938 173.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.9 tp -62.29 -46.96 86.42 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.993 0.917 . . . . 0.0 112.029 173.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -70.72 -34.1 71.55 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.707 0.803 . . . . 0.0 111.923 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.04 -51.71 66.9 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.398 0.679 . . . . 0.0 111.686 170.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -57.15 -38.29 73.32 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.174 -0.954 . . . . 0.0 112.042 174.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.24 -0.55 4.59 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 125.78 1.657 . . . . 0.0 116.744 176.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.6 pp -138.9 -28.31 0.8 Allowed 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.184 1.492 . . . . 0.0 114.3 170.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -136.45 -48.75 0.65 Allowed 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.261 1.024 . . . . 0.0 112.519 -177.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.271 0.0 OUTLIER 41.37 34.72 0.37 Allowed 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 127.741 2.416 . . . . 0.0 115.977 175.496 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.2 tp -67.7 -31.15 70.91 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.76 1.624 . . . . 0.0 114.494 -171.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -151.52 13.76 0.8 Allowed Glycine 0 CA--C 1.531 1.069 0 N-CA-C 116.898 1.519 . . . . 0.0 116.898 -165.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.72 -30.32 71.33 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 118.895 1.348 . . . . 0.0 113.575 178.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.3 m -145.74 19.15 1.48 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.119 1.368 . . . . 0.0 113.758 -172.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -165.25 174.16 41.09 Favored Glycine 0 CA--C 1.541 1.677 0 N-CA-C 116.091 1.197 . . . . 0.0 116.091 -174.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -67.82 132.0 25.56 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 124.164 3.243 . . . . 0.0 112.297 -172.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -155.88 11.25 0.29 Allowed 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 -173.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.9 mmtt -114.62 25.42 11.02 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 125.028 1.331 . . . . 0.0 113.859 -167.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -137.25 164.27 28.93 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 126.337 1.855 . . . . 0.0 110.347 176.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -143.1 159.93 41.35 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.004 1.322 . . . . 0.0 111.367 175.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.5 m -59.56 150.27 27.61 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.33 1.452 . . . . 0.0 114.228 -176.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -139.29 170.39 16.03 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 126.674 1.99 . . . . 0.0 111.824 -177.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -173.81 174.87 46.39 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 124.767 1.175 . . . . 0.0 113.731 176.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -133.72 9.46 3.92 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 125.653 1.581 . . . . 0.0 114.353 -174.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -160.34 25.5 0.29 Allowed Glycine 0 CA--C 1.536 1.405 0 C-N-CA 124.38 0.991 . . . . 0.0 114.953 -175.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 O-C-N 120.692 -1.475 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 18.6 m . . . . . 0 N--CA 1.493 1.689 0 CA-C-O 120.416 0.15 . . . . 0.0 111.391 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.2 m -132.62 25.76 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 C-N-CA 125.788 1.635 . . . . 0.0 111.961 178.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 3.5 t80 48.81 28.71 1.99 Allowed 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.671 1.988 . . . . 0.0 114.65 -172.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 54.87 21.23 3.51 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 127.355 2.262 . . . . 0.0 115.736 176.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 29.6 m -52.94 -37.26 25.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 -169.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.59 -45.55 65.11 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 118.73 0.695 . . . . 0.0 112.192 175.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.9 tt -59.59 -43.29 93.74 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.42 1.088 . . . . 0.0 110.753 177.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.4 m -63.33 -17.93 63.09 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.672 1.189 . . . . 0.0 113.768 175.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -115.48 -69.89 0.83 Allowed 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.456 1.103 . . . . 0.0 113.476 -172.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 15.4 m -77.04 -11.31 13.65 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 -178.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.0 m 39.26 39.82 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 C-N-CA 127.496 2.318 . . . . 0.0 115.785 176.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 55.85 31.19 17.22 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 126.109 1.764 . . . . 0.0 114.856 -177.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.9 p -49.67 -29.51 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 C-N-CA 126.012 1.725 . . . . 0.0 115.558 -173.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.43 -27.06 45.54 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.434 1.094 . . . . 0.0 113.855 174.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.2 tp -61.1 -41.2 96.23 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.278 1.031 . . . . 0.0 112.491 173.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -76.14 -32.08 58.92 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 121.689 -0.632 . . . . 0.0 111.978 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.09 -49.92 72.57 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.241 0.616 . . . . 0.0 111.284 168.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -56.71 -40.65 76.02 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 121.276 -0.89 . . . . 0.0 111.814 171.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.74 3.66 3.63 Favored Glycine 0 CA--C 1.537 1.433 0 C-N-CA 126.012 1.768 . . . . 0.0 116.627 177.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.5 pp -139.49 -31.87 0.67 Allowed 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.068 1.434 . . . . 0.0 114.159 171.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -127.72 -51.22 1.36 Allowed 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 125.159 1.384 . . . . 0.0 111.337 179.517 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.278 0.0 OUTLIER 40.33 37.51 0.44 Allowed 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 127.502 2.321 . . . . 0.0 114.905 179.248 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 38.8 tp -71.36 -27.28 63.24 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 126.193 1.797 . . . . 0.0 114.491 -169.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -155.34 11.55 0.4 Allowed Glycine 0 CA--C 1.531 1.089 0 N-CA-C 117.711 1.844 . . . . 0.0 117.711 -161.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.6 -28.85 70.2 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 119.292 1.546 . . . . 0.0 113.58 177.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.4 m -145.47 19.34 1.53 Allowed 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.16 1.384 . . . . 0.0 113.737 -172.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -164.86 175.15 40.85 Favored Glycine 0 CA--C 1.54 1.613 0 O-C-N 120.846 -1.159 . . . . 0.0 115.657 -174.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -66.75 128.41 18.88 Favored 'Trans proline' 0 CA--C 1.537 0.667 0 C-N-CA 124.13 3.22 . . . . 0.0 112.497 -171.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -155.59 14.44 0.36 Allowed 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -175.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.7 mmtm -125.92 29.82 5.82 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 125.568 1.547 . . . . 0.0 113.09 -164.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -138.69 163.78 31.24 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 127.41 2.284 . . . . 0.0 109.123 172.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -142.2 161.14 38.77 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.589 1.155 . . . . 0.0 111.493 174.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.2 m -57.19 147.13 25.89 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.57 1.548 . . . . 0.0 114.121 -177.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -138.13 170.0 16.81 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 126.551 1.94 . . . . 0.0 111.622 -178.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -175.43 176.93 47.41 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 124.872 1.225 . . . . 0.0 113.704 176.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -131.62 9.23 4.63 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 125.678 1.591 . . . . 0.0 114.184 -175.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -161.52 24.12 0.23 Allowed Glycine 0 CA--C 1.536 1.398 0 C-N-CA 124.481 1.038 . . . . 0.0 114.948 -176.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 O-C-N 120.576 -1.544 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 11.1 m . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 111.722 0.268 . . . . 0.0 111.722 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 33.6 m -133.11 23.11 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 C-N-CA 126.137 1.775 . . . . 0.0 111.74 174.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 4.1 t80 48.33 30.15 2.19 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 126.801 2.041 . . . . 0.0 114.429 -170.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 56.46 15.71 2.15 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 127.939 2.495 . . . . 0.0 116.235 175.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 34.9 m -54.7 -34.08 29.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 N-CA-C 114.891 1.441 . . . . 0.0 114.891 -170.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.94 -50.03 46.03 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.086 0.554 . . . . 0.0 112.092 174.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.6 tt -56.27 -43.46 78.79 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.697 1.199 . . . . 0.0 110.649 176.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 48.1 m -62.73 -17.64 61.18 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.127 1.371 . . . . 0.0 114.203 177.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -123.15 -64.66 1.15 Allowed 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -172.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.9 m -76.6 -9.73 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 32.6 m 42.25 33.29 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.275 0 C-N-CA 128.186 2.594 . . . . 0.0 116.265 174.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 52.42 37.41 22.58 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.386 1.474 . . . . 0.0 113.822 -172.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.2 p -49.96 -29.01 4.86 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 125.401 1.48 . . . . 0.0 114.465 -176.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.25 -26.46 40.03 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.137 1.375 . . . . 0.0 113.78 173.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.2 tp -59.84 -48.15 82.85 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.127 1.371 . . . . 0.0 111.838 173.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -75.47 -32.07 60.48 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.858 0.863 . . . . 0.0 111.466 -178.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.94 -48.28 77.14 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.349 0.66 . . . . 0.0 111.769 169.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -59.32 -37.25 77.3 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 120.892 -1.13 . . . . 0.0 111.545 171.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.61 3.01 1.5 Allowed Glycine 0 CA--C 1.538 1.522 0 C-N-CA 126.126 1.822 . . . . 0.0 116.995 172.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 pp -139.84 -29.87 0.71 Allowed 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 118.837 1.319 . . . . 0.0 114.315 169.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -128.27 -46.15 1.36 Allowed 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.353 1.461 . . . . 0.0 112.007 176.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.274 0.0 OUTLIER 40.87 35.69 0.36 Allowed 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 127.181 2.192 . . . . 0.0 114.624 -179.471 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 37.5 tp -74.2 -25.3 59.6 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.82 1.648 . . . . 0.0 114.029 -164.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -140.65 13.91 2.93 Favored Glycine 0 N--CA 1.475 1.293 0 N-CA-C 115.359 0.904 . . . . 0.0 115.359 -169.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.55 -32.62 73.61 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 118.552 1.176 . . . . 0.0 113.608 178.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.1 m -146.49 13.47 1.21 Allowed 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 -171.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -166.58 178.12 41.13 Favored Glycine 0 CA--C 1.542 1.746 0 N-CA-C 116.542 1.377 . . . . 0.0 116.542 -170.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -66.68 134.18 34.33 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 124.66 3.574 . . . . 0.0 113.155 -171.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -156.61 17.7 0.32 Allowed 'General case' 0 CA--C 1.551 0.981 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 -172.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.1 mmtm -133.2 32.96 3.66 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 124.772 1.229 . . . . 0.0 113.556 -169.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -137.14 165.34 26.31 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 126.929 2.091 . . . . 0.0 109.377 165.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -144.17 164.52 30.46 Favored 'General case' 0 CA--C 1.56 1.357 0 C-N-CA 124.48 1.112 . . . . 0.0 112.05 176.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 60.9 m -57.16 151.12 16.08 Favored 'General case' 0 N--CA 1.517 2.916 0 C-N-CA 125.708 1.603 . . . . 0.0 111.967 178.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 62.1 mmt-85 -145.81 172.39 13.39 Favored 'General case' 0 N--CA 1.53 3.547 0 C-N-CA 125.735 1.614 . . . . 0.0 110.042 -178.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -167.66 173.86 42.69 Favored Glycine 0 CA--C 1.541 1.715 0 C-N-CA 125.342 1.449 . . . . 0.0 113.099 175.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -133.48 8.3 3.92 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 125.451 1.5 . . . . 0.0 114.708 -171.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -171.2 -5.53 0.03 OUTLIER Glycine 0 CA--C 1.538 1.479 0 N-CA-C 116.544 1.377 . . . . 0.0 116.544 -179.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.228 0 O-C-N 119.976 -1.896 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 13.6 m . . . . . 0 N--CA 1.493 1.681 0 N-CA-C 111.596 0.221 . . . . 0.0 111.596 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.2 m -134.04 26.69 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 C-N-CA 126.027 1.731 . . . . 0.0 112.015 179.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 19.8 t80 46.39 38.26 5.1 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.379 1.872 . . . . 0.0 114.059 -167.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 57.37 21.86 7.26 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.461 1.904 . . . . 0.0 116.124 167.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.3 m -52.78 -32.92 18.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 N-CA-C 114.556 1.317 . . . . 0.0 114.556 -175.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.5 -51.9 18.06 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.48 0.712 . . . . 0.0 112.183 172.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.1 tt -55.99 -43.57 77.77 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.775 1.23 . . . . 0.0 111.476 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 49.3 m -65.36 -17.52 64.59 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.82 1.248 . . . . 0.0 113.939 178.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -124.58 -62.52 1.25 Allowed 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 114.036 1.125 . . . . 0.0 114.036 -171.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.3 m -78.06 -10.64 13.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 CA-C-N 119.575 1.08 . . . . 0.0 113.555 178.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.8 m 42.15 33.47 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 C-N-CA 128.248 2.619 . . . . 0.0 116.403 172.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 53.02 33.96 15.99 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 125.355 1.462 . . . . 0.0 114.134 -174.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.8 p -51.55 -24.0 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 125.866 1.666 . . . . 0.0 115.082 -175.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.58 -27.01 15.03 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.189 1.396 . . . . 0.0 114.32 171.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 58.0 tp -55.87 -51.1 68.74 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.808 1.243 . . . . 0.0 112.098 171.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -74.64 -31.87 62.09 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.848 0.859 . . . . 0.0 111.824 -178.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.78 -52.03 65.89 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.399 0.68 . . . . 0.0 111.515 170.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -57.53 -39.84 77.49 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.168 -0.957 . . . . 0.0 111.714 173.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.49 1.55 3.0 Favored Glycine 0 CA--C 1.539 1.556 0 C-N-CA 125.8 1.667 . . . . 0.0 116.912 176.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.1 pp -140.0 -29.58 0.71 Allowed 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.207 1.504 . . . . 0.0 114.392 170.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -135.3 -52.03 0.77 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.282 1.033 . . . . 0.0 111.921 -178.315 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.268 0.0 OUTLIER 41.21 35.44 0.4 Allowed 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 127.687 2.395 . . . . 0.0 115.751 176.792 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 30.6 tp -64.83 -25.92 68.12 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.667 1.587 . . . . 0.0 114.455 -171.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -151.31 15.69 0.86 Allowed Glycine 0 CA--C 1.531 1.075 0 N-CA-C 116.948 1.539 . . . . 0.0 116.948 -166.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.93 -31.19 72.29 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 118.872 1.336 . . . . 0.0 113.825 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.7 m -146.18 17.92 1.38 Allowed 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 114.304 1.224 . . . . 0.0 114.304 -169.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -165.87 176.47 41.28 Favored Glycine 0 CA--C 1.54 1.643 0 O-C-N 120.793 -1.192 . . . . 0.0 115.471 -174.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -64.96 129.24 22.63 Favored 'Trans proline' 0 CA--C 1.538 0.689 0 C-N-CA 124.15 3.234 . . . . 0.0 112.171 -174.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -154.47 12.86 0.41 Allowed 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 115.333 1.605 . . . . 0.0 115.333 -170.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -130.66 34.75 4.08 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 125.325 1.45 . . . . 0.0 112.935 -172.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -134.85 161.64 34.64 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 126.807 2.043 . . . . 0.0 109.061 169.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -143.42 162.01 36.9 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.622 1.169 . . . . 0.0 110.902 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 38.0 m -58.43 141.72 50.68 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.348 1.059 . . . . 0.0 112.885 175.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -135.77 174.71 10.32 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 126.278 1.831 . . . . 0.0 111.539 -178.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -169.43 174.62 43.8 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 124.761 1.172 . . . . 0.0 113.584 174.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -131.11 11.07 5.01 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 125.566 1.546 . . . . 0.0 114.105 -175.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -162.84 22.51 0.19 Allowed Glycine 0 CA--C 1.537 1.463 0 C-N-CA 124.54 1.066 . . . . 0.0 115.002 -177.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 O-C-N 120.587 -1.537 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 13.4 m . . . . . 0 N--CA 1.493 1.693 0 N-CA-C 111.53 0.196 . . . . 0.0 111.53 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 26.9 m -133.14 22.83 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.425 0 C-N-CA 125.681 1.593 . . . . 0.0 112.287 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 13.0 t80 47.2 34.67 3.15 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 126.195 1.798 . . . . 0.0 114.046 -170.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 55.49 25.23 7.59 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.948 2.099 . . . . 0.0 115.828 172.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 18.2 m -51.91 -38.08 22.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 N-CA-C 114.398 1.258 . . . . 0.0 114.398 -177.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.57 -46.5 66.25 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.435 0.694 . . . . 0.0 112.186 175.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 tt -56.57 -44.67 81.23 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.667 1.187 . . . . 0.0 110.745 177.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.6 m -67.8 -17.13 64.42 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.97 1.308 . . . . 0.0 114.067 177.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -120.81 -68.81 0.88 Allowed 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 119.695 1.134 . . . . 0.0 113.809 -171.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 18.0 m -72.71 -12.73 15.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 CA-C-N 119.478 1.035 . . . . 0.0 113.591 178.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.8 m 41.69 36.6 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 C-N-CA 127.649 2.38 . . . . 0.0 116.319 172.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 56.59 31.03 18.38 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.037 1.735 . . . . 0.0 114.52 -176.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.5 p -51.45 -26.59 6.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 125.476 1.511 . . . . 0.0 114.781 -177.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.22 -29.01 57.12 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 114.09 1.144 . . . . 0.0 114.09 172.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.4 tp -64.83 -48.51 74.12 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.005 0.922 . . . . 0.0 111.89 173.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -69.62 -33.53 72.78 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.311 0.644 . . . . 0.0 112.088 177.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.33 -46.78 85.08 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.62 0.768 . . . . 0.0 112.0 170.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -58.27 -37.49 75.07 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 120.839 -1.163 . . . . 0.0 111.682 172.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.69 1.5 3.2 Favored Glycine 0 CA--C 1.539 1.556 0 C-N-CA 125.756 1.645 . . . . 0.0 116.698 173.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.1 pp -138.52 -26.73 0.88 Allowed 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 119.49 1.645 . . . . 0.0 114.548 171.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -137.51 -53.12 0.66 Allowed 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.65 1.18 . . . . 0.0 112.407 -178.506 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.286 0.0 OUTLIER 40.27 38.42 0.54 Allowed 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 127.357 2.263 . . . . 0.0 115.252 -177.924 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.2 tp -64.03 -31.98 73.37 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 126.048 1.739 . . . . 0.0 114.355 -173.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -150.94 2.19 0.43 Allowed Glycine 0 CA--C 1.532 1.111 0 N-CA-C 117.702 1.841 . . . . 0.0 117.702 -164.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.58 -23.21 67.19 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 119.473 1.637 . . . . 0.0 113.585 176.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.2 m -142.94 20.15 1.96 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.499 1.519 . . . . 0.0 113.592 -174.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -169.19 173.0 43.6 Favored Glycine 0 CA--C 1.542 1.771 0 O-C-N 120.905 -1.122 . . . . 0.0 115.882 -176.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -68.47 133.19 27.38 Favored 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 124.115 3.21 . . . . 0.0 112.17 -175.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -154.49 15.05 0.44 Allowed 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 -168.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.5 mmtm -129.22 31.25 4.89 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 125.012 1.325 . . . . 0.0 113.856 -168.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -136.14 164.61 27.65 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 126.076 1.75 . . . . 0.0 110.41 172.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -145.63 160.19 42.04 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.153 1.381 . . . . 0.0 111.049 177.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.9 m -63.41 148.22 49.1 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.25 1.02 . . . . 0.0 112.681 175.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -139.21 171.96 13.53 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 126.009 1.724 . . . . 0.0 112.518 -174.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -173.18 177.6 45.54 Favored Glycine 0 CA--C 1.538 1.527 0 C-N-CA 125.424 1.488 . . . . 0.0 113.427 175.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -131.95 9.47 4.53 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 125.781 1.633 . . . . 0.0 114.268 -175.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -140.82 21.32 2.68 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 124.959 1.266 . . . . 0.0 114.705 -173.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 O-C-N 120.638 -1.507 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 14.8 m . . . . . 0 N--CA 1.494 1.733 0 N-CA-C 111.575 0.213 . . . . 0.0 111.575 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 26.8 m -131.0 25.2 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.351 0 C-N-CA 125.899 1.68 . . . . 0.0 111.985 178.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 17.3 t80 48.34 32.9 3.44 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.446 1.899 . . . . 0.0 114.136 -169.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 54.88 22.25 4.16 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 126.897 2.079 . . . . 0.0 115.652 173.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 32.8 m -57.94 -34.47 48.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 -175.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.66 -48.92 58.14 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.642 0.777 . . . . 0.0 111.976 175.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.1 tt -56.93 -44.05 82.1 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.071 0.948 . . . . 0.0 110.652 177.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.0 m -71.34 -3.84 22.87 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.443 1.497 . . . . 0.0 113.603 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -132.53 -68.15 0.62 Allowed 'General case' 0 CA--C 1.545 0.764 0 O-C-N 120.862 -1.149 . . . . 0.0 113.947 -177.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.5 m -76.98 -10.37 13.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 CA-C-N 119.437 1.017 . . . . 0.0 113.708 -178.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.8 m 42.03 38.39 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 127.786 2.434 . . . . 0.0 115.775 172.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 56.44 35.17 25.5 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.879 1.671 . . . . 0.0 114.551 -178.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.7 p -46.2 -33.48 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 125.672 1.589 . . . . 0.0 114.658 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.6 -33.75 68.53 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.448 1.099 . . . . 0.0 113.915 175.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.2 tp -64.07 -45.78 87.26 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.013 0.925 . . . . 0.0 111.42 175.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -72.55 -35.73 68.09 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.08 0.952 . . . . 0.0 112.169 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.49 -49.75 75.52 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.738 0.815 . . . . 0.0 111.681 170.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -56.59 -41.02 76.28 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.235 -0.916 . . . . 0.0 111.554 171.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.07 6.1 4.26 Favored Glycine 0 CA--C 1.538 1.488 0 C-N-CA 126.206 1.86 . . . . 0.0 116.978 176.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.4 pp -139.36 -31.72 0.68 Allowed 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.375 1.588 . . . . 0.0 114.052 170.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -134.52 -46.86 0.75 Allowed 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.654 1.182 . . . . 0.0 113.097 179.312 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.283 0.0 OUTLIER 40.77 42.3 1.4 Allowed 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 126.941 2.096 . . . . 0.0 114.466 -177.881 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 31.2 tp -62.63 -36.31 82.38 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.956 1.702 . . . . 0.0 114.17 -170.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -150.03 4.71 0.64 Allowed Glycine 0 CA--C 1.532 1.105 0 N-CA-C 118.441 2.136 . . . . 0.0 118.441 -162.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.0 -21.13 66.38 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 119.611 1.706 . . . . 0.0 113.901 177.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.1 m -142.37 16.37 2.04 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.1 1.36 . . . . 0.0 114.09 -170.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -172.41 176.67 45.31 Favored Glycine 0 CA--C 1.541 1.718 0 O-C-N 120.858 -1.151 . . . . 0.0 115.547 -175.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -64.3 131.59 30.72 Favored 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 124.095 3.197 . . . . 0.0 112.183 -175.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -155.94 11.62 0.3 Allowed 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 115.612 1.708 . . . . 0.0 115.612 -169.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 41.1 mmtm -130.43 33.07 4.34 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 125.354 1.462 . . . . 0.0 113.063 -170.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -135.75 163.59 29.84 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 126.408 1.883 . . . . 0.0 109.929 171.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -143.82 159.55 42.33 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.229 1.412 . . . . 0.0 110.19 177.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.3 m -58.84 145.07 42.23 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.71 1.204 . . . . 0.0 113.039 177.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -136.98 170.38 16.2 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 126.189 1.796 . . . . 0.0 111.904 -177.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -174.21 -179.32 44.76 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 125.017 1.294 . . . . 0.0 113.298 177.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -130.23 15.69 5.61 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 125.697 1.599 . . . . 0.0 113.729 -175.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 176.59 -22.66 0.05 OUTLIER Glycine 0 CA--C 1.537 1.411 0 N-CA-C 115.595 0.998 . . . . 0.0 115.595 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 O-C-N 120.44 -1.624 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 17.0 m . . . . . 0 N--CA 1.492 1.673 0 N-CA-C 111.579 0.214 . . . . 0.0 111.579 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 25.6 m -129.2 32.46 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.325 0 C-N-CA 126.104 1.762 . . . . 0.0 111.223 173.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 10.9 t80 43.4 45.14 5.2 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 127.618 2.367 . . . . 0.0 115.11 -174.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 59.69 23.52 12.35 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 115.779 1.77 . . . . 0.0 115.779 163.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 18.0 m -55.54 -30.24 25.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 -175.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.62 -52.11 10.3 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 118.869 0.759 . . . . 0.0 112.222 174.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.4 tt -57.37 -43.31 83.45 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.413 1.085 . . . . 0.0 111.169 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.6 m -73.38 -2.42 22.18 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.278 1.431 . . . . 0.0 113.404 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -131.08 -70.89 0.58 Allowed 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.0 -1.062 . . . . 0.0 113.273 -177.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.6 m -75.65 -11.95 14.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 -178.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 31.6 m 43.05 34.87 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 C-N-CA 127.758 2.423 . . . . 0.0 116.103 172.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 54.22 38.26 28.89 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.442 1.497 . . . . 0.0 114.099 -174.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.6 p -44.51 -31.48 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 C-N-CA 126.992 2.117 . . . . 0.0 114.947 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.58 -35.91 61.35 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.502 1.121 . . . . 0.0 113.876 175.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.5 tp -63.92 -46.52 84.44 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.784 0.833 . . . . 0.0 111.915 175.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -73.02 -33.53 65.81 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.06 0.944 . . . . 0.0 112.201 -177.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.88 -51.59 63.85 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.68 0.792 . . . . 0.0 111.579 168.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -57.54 -36.64 71.89 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.165 -0.96 . . . . 0.0 112.319 175.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.69 0.79 2.82 Favored Glycine 0 CA--C 1.538 1.47 0 C-N-CA 125.964 1.745 . . . . 0.0 116.714 175.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.7 pp -140.86 -26.34 0.73 Allowed 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 118.936 1.368 . . . . 0.0 114.283 168.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -137.6 -44.63 0.54 Allowed 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.814 1.246 . . . . 0.0 113.094 -178.529 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.268 0.0 OUTLIER 40.74 37.78 0.54 Allowed 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 127.368 2.267 . . . . 0.0 115.367 178.117 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.2 tp -64.58 -33.82 76.8 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.623 1.569 . . . . 0.0 114.384 -170.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -141.11 7.51 2.63 Favored Glycine 0 CA--C 1.532 1.151 0 N-CA-C 116.718 1.447 . . . . 0.0 116.718 -166.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.23 -24.55 67.71 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 118.887 1.344 . . . . 0.0 114.042 179.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.1 m -142.01 16.14 2.1 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.281 1.432 . . . . 0.0 114.113 -174.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -171.72 175.66 45.08 Favored Glycine 0 CA--C 1.54 1.639 0 N-CA-C 116.297 1.279 . . . . 0.0 116.297 -176.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -65.87 137.78 50.48 Favored 'Trans proline' 0 CA--C 1.538 0.695 0 C-N-CA 124.316 3.344 . . . . 0.0 112.504 -175.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -156.71 15.91 0.3 Allowed 'General case' 0 CA--C 1.553 1.072 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -169.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -127.14 24.95 6.28 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 125.314 1.445 . . . . 0.0 113.974 -166.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -136.53 165.57 25.55 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.566 1.946 . . . . 0.0 109.719 171.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -141.47 162.76 34.7 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.098 1.359 . . . . 0.0 110.671 176.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 38.3 m -59.15 144.86 44.51 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.665 1.186 . . . . 0.0 113.473 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 32.9 mmt180 -138.52 175.4 9.6 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 126.446 1.899 . . . . 0.0 112.001 -176.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -164.36 176.4 40.28 Favored Glycine 0 CA--C 1.537 1.406 0 C-N-CA 125.854 1.692 . . . . 0.0 112.385 174.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -130.01 19.81 5.45 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 124.803 1.241 . . . . 0.0 113.803 -172.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -175.8 -23.67 0.03 OUTLIER Glycine 0 CA--C 1.538 1.496 0 C-N-CA 124.39 0.995 . . . . 0.0 115.445 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.263 0 O-C-N 120.341 -1.682 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 6.2 m . . . . . 0 N--CA 1.493 1.689 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.7 m -124.57 18.6 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 C-N-CA 125.956 1.702 . . . . 0.0 111.824 171.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . 0.253 2.5 t80 40.75 44.05 1.79 Allowed 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 127.964 2.506 . . . . 0.0 115.313 -171.711 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 62.11 22.57 13.21 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 115.853 1.797 . . . . 0.0 115.853 163.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 15.9 m -51.56 -29.73 10.23 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 N-CA-C 115.457 1.651 . . . . 0.0 115.457 -176.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -89.55 -46.69 8.49 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.645 0.778 . . . . 0.0 112.617 174.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.2 tt -57.25 -47.44 81.37 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.447 1.099 . . . . 0.0 111.232 -177.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.3 m -69.72 -9.17 53.42 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.253 1.421 . . . . 0.0 113.617 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -126.29 -73.56 0.62 Allowed 'General case' 0 CA--C 1.543 0.709 0 O-C-N 120.972 -1.08 . . . . 0.0 113.299 -172.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 29.0 m -75.66 -13.33 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -177.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 32.0 m 44.91 33.38 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 C-N-CA 127.843 2.457 . . . . 0.0 116.053 170.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 53.44 38.17 27.34 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.353 1.461 . . . . 0.0 113.873 -174.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.6 p -45.56 -32.11 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 C-N-CA 126.236 1.814 . . . . 0.0 114.767 -178.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.52 -31.95 57.2 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.919 1.288 . . . . 0.0 114.336 175.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.2 tp -61.4 -52.19 65.63 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.279 1.032 . . . . 0.0 111.537 175.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -71.9 -33.84 68.65 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.245 1.018 . . . . 0.0 111.921 -178.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.58 -50.72 70.17 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.752 0.821 . . . . 0.0 111.895 170.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -59.5 -36.36 75.92 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 120.899 -1.125 . . . . 0.0 111.674 174.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.73 2.36 2.64 Favored Glycine 0 CA--C 1.538 1.5 0 C-N-CA 125.854 1.692 . . . . 0.0 116.91 173.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.3 pp -140.93 -25.6 0.74 Allowed 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.247 1.524 . . . . 0.0 114.481 170.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -132.19 -44.12 0.94 Allowed 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.23 1.412 . . . . 0.0 112.635 177.503 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.282 0.0 OUTLIER 40.8 40.42 0.97 Allowed 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 126.967 2.107 . . . . 0.0 114.625 179.548 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.3 tp -63.13 -40.09 96.57 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.492 1.917 . . . . 0.0 114.143 -171.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -149.7 12.47 0.99 Allowed Glycine 0 N--CA 1.473 1.143 0 N-CA-C 117.524 1.77 . . . . 0.0 117.524 -161.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.12 -26.99 69.08 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 119.274 1.537 . . . . 0.0 113.82 178.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.8 m -145.96 20.97 1.44 Allowed 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.054 1.341 . . . . 0.0 113.464 -174.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -167.09 173.37 42.33 Favored Glycine 0 CA--C 1.541 1.667 0 N-CA-C 116.083 1.193 . . . . 0.0 116.083 -175.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -65.94 134.01 35.67 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 124.209 3.273 . . . . 0.0 112.221 -174.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -156.59 8.97 0.21 Allowed 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 -174.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.3 mmtt -115.14 23.63 12.34 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 125.209 1.404 . . . . 0.0 113.739 -168.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -136.37 162.38 33.18 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 126.582 1.953 . . . . 0.0 110.159 177.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -143.45 164.68 29.63 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.113 1.365 . . . . 0.0 111.024 176.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 68.3 m -64.82 144.49 57.22 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.805 0.842 . . . . 0.0 112.248 174.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -138.75 176.66 8.5 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 126.511 1.924 . . . . 0.0 111.587 -176.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.32 176.19 41.62 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 124.936 1.255 . . . . 0.0 113.632 175.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -130.16 5.4 4.88 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 125.675 1.59 . . . . 0.0 114.628 -174.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -161.3 22.32 0.22 Allowed Glycine 0 CA--C 1.537 1.421 0 C-N-CA 124.195 0.902 . . . . 0.0 115.079 -177.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.358 0 O-C-N 120.55 -1.559 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 16.0 m . . . . . 0 N--CA 1.493 1.708 0 N-CA-C 111.644 0.238 . . . . 0.0 111.644 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.6 m -128.7 19.09 2.72 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 C-N-CA 125.801 1.64 . . . . 0.0 112.032 175.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.3 t80 41.46 44.08 2.38 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 127.103 2.161 . . . . 0.0 114.636 -168.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 62.43 21.71 12.76 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 115.91 1.818 . . . . 0.0 115.91 163.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 18.0 m -52.57 -23.74 5.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 -179.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -102.21 -45.35 5.16 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.379 1.072 . . . . 0.0 112.762 173.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 tt -59.09 -44.19 91.91 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.906 0.882 . . . . 0.0 111.718 -177.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.3 m -70.93 -13.29 61.96 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.138 -0.976 . . . . 0.0 113.311 177.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -119.53 -72.04 0.71 Allowed 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.348 1.059 . . . . 0.0 113.247 -169.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 19.5 m -75.78 -12.99 14.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.1 m 41.11 36.71 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 C-N-CA 127.493 2.317 . . . . 0.0 116.01 175.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 54.63 37.76 28.72 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.912 1.685 . . . . 0.0 114.343 -174.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.2 p -46.68 -31.28 1.5 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 C-N-CA 126.134 1.774 . . . . 0.0 114.682 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.32 -30.2 50.4 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.872 1.269 . . . . 0.0 114.216 175.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 67.3 tp -61.16 -44.72 96.87 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.365 1.066 . . . . 0.0 112.042 173.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -79.61 -31.75 41.74 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.239 1.016 . . . . 0.0 111.785 -177.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.05 -51.3 68.54 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.388 0.675 . . . . 0.0 111.404 167.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -56.36 -38.45 71.42 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.075 -1.016 . . . . 0.0 111.738 171.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.22 -1.1 1.99 Allowed Glycine 0 CA--C 1.538 1.507 0 C-N-CA 126.18 1.848 . . . . 0.0 117.229 174.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 pp -140.7 -26.28 0.74 Allowed 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 119.261 1.531 . . . . 0.0 114.341 170.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -133.74 -44.07 0.81 Allowed 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.775 1.63 . . . . 0.0 112.181 179.438 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.266 0.0 OUTLIER 42.12 34.82 0.51 Allowed 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 127.934 2.494 . . . . 0.0 115.518 176.073 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.3 tp -71.55 -33.37 69.07 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.152 1.381 . . . . 0.0 114.34 -168.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -176.0 38.14 0.1 Allowed Glycine 0 CA--C 1.529 0.956 0 N-CA-C 117.03 1.572 . . . . 0.0 117.03 -174.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.53 -22.89 56.78 Favored 'General case' 0 CA--C 1.552 1.04 0 CA-C-N 118.691 1.245 . . . . 0.0 113.239 168.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.1 m -142.72 25.46 1.81 Allowed 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.323 1.849 . . . . 0.0 112.524 179.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -167.61 175.36 42.6 Favored Glycine 0 CA--C 1.542 1.731 0 N-CA-C 116.406 1.323 . . . . 0.0 116.406 -172.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -67.47 127.78 17.09 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 124.417 3.411 . . . . 0.0 112.872 -172.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -154.25 9.1 0.35 Allowed 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 115.268 1.581 . . . . 0.0 115.268 -174.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -119.37 19.94 12.63 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 125.151 1.38 . . . . 0.0 113.777 -166.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -135.51 164.42 27.85 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 126.379 1.871 . . . . 0.0 110.794 178.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -141.37 164.41 30.32 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.751 1.62 . . . . 0.0 111.132 177.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 57.1 m -62.7 143.92 56.9 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.965 0.906 . . . . 0.0 112.319 175.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -138.33 171.81 13.83 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 126.326 1.85 . . . . 0.0 111.523 -178.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.39 178.63 40.81 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 124.849 1.214 . . . . 0.0 113.696 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -133.26 21.19 4.03 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 125.771 1.628 . . . . 0.0 113.693 -171.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -178.61 -22.76 0.03 OUTLIER Glycine 0 CA--C 1.538 1.484 0 N-CA-C 115.636 1.014 . . . . 0.0 115.636 177.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 O-C-N 120.412 -1.64 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 15.5 m . . . . . 0 N--CA 1.493 1.682 0 N-CA-C 111.437 0.162 . . . . 0.0 111.437 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.1 m -131.29 20.38 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 C-N-CA 125.515 1.526 . . . . 0.0 112.66 -176.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 5.6 t80 46.78 37.11 4.38 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 125.915 1.686 . . . . 0.0 113.547 -168.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 55.39 24.37 6.58 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 127.292 2.237 . . . . 0.0 116.328 172.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 26.1 m -54.63 -36.41 35.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 -179.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.61 -50.6 24.23 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.446 0.699 . . . . 0.0 111.861 175.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.7 tt -56.58 -43.16 79.79 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.269 1.028 . . . . 0.0 111.069 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.8 m -67.49 -12.72 60.99 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.27 1.428 . . . . 0.0 113.595 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -126.27 -68.09 0.83 Allowed 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.319 1.048 . . . . 0.0 113.526 -173.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 31.0 m -75.01 -10.25 13.48 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -179.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.1 m 42.07 37.66 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 C-N-CA 127.65 2.38 . . . . 0.0 116.092 172.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 57.08 32.29 21.42 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.972 1.709 . . . . 0.0 114.621 -176.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.2 p -47.19 -31.04 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 125.894 1.678 . . . . 0.0 114.743 -178.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.38 -34.33 66.57 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 176.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 62.6 tp -64.83 -49.01 72.29 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.895 0.878 . . . . 0.0 111.436 174.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -68.02 -36.32 79.74 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.443 1.097 . . . . 0.0 112.081 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.78 -52.17 61.48 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.362 1.065 . . . . 0.0 111.753 171.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -56.07 -37.17 68.95 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.086 -1.009 . . . . 0.0 111.971 176.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.81 0.38 3.28 Favored Glycine 0 CA--C 1.539 1.536 0 N-CA-C 117.214 1.646 . . . . 0.0 117.214 175.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 pp -145.8 -14.75 0.48 Allowed 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 119.261 1.531 . . . . 0.0 114.905 171.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -134.2 -45.81 0.77 Allowed 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.565 1.546 . . . . 0.0 112.494 177.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.275 0.0 OUTLIER 41.23 34.53 0.33 Allowed 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 127.14 2.176 . . . . 0.0 115.006 -177.149 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.2 tp -72.15 -19.56 61.74 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.684 1.594 . . . . 0.0 113.848 -171.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -151.46 0.99 0.34 Allowed Glycine 0 CA--C 1.534 1.271 0 N-CA-C 117.277 1.671 . . . . 0.0 117.277 -173.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.48 -17.6 63.63 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 119.328 1.564 . . . . 0.0 114.225 177.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.0 m -140.65 15.49 2.34 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.044 1.338 . . . . 0.0 113.638 -171.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -176.01 175.26 47.34 Favored Glycine 0 CA--C 1.538 1.508 0 O-C-N 121.087 -1.008 . . . . 0.0 114.876 -178.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -62.01 141.86 90.57 Favored 'Trans proline' 0 CA--C 1.537 0.646 0 C-N-CA 123.706 2.937 . . . . 0.0 112.2 -178.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -157.35 6.23 0.15 Allowed 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 -172.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -107.59 16.69 23.5 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 125.599 1.56 . . . . 0.0 113.546 -170.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -135.89 162.36 33.05 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 126.749 2.02 . . . . 0.0 110.471 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -140.51 156.92 46.18 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.546 1.539 . . . . 0.0 110.394 173.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 68.8 m -62.64 146.36 52.29 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.362 1.065 . . . . 0.0 113.147 -178.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -136.36 174.4 10.65 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 126.658 1.983 . . . . 0.0 111.487 -176.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -164.24 177.71 39.84 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 124.652 1.12 . . . . 0.0 113.843 178.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -132.33 16.9 4.49 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 125.813 1.645 . . . . 0.0 113.906 -172.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 176.8 -22.91 0.05 OUTLIER Glycine 0 CA--C 1.536 1.362 0 N-CA-C 115.544 0.978 . . . . 0.0 115.544 177.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.264 0 O-C-N 120.398 -1.648 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 15.5 m . . . . . 0 N--CA 1.493 1.696 0 N-CA-C 111.476 0.176 . . . . 0.0 111.476 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.2 m -130.47 28.17 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 C-N-CA 125.926 1.69 . . . . 0.0 111.859 178.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 t80 49.89 31.3 4.52 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.846 2.058 . . . . 0.0 114.811 -173.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 55.32 26.81 9.06 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.994 2.118 . . . . 0.0 115.788 172.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.2 m -56.6 -35.78 46.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 -178.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.7 -49.08 64.54 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.475 0.71 . . . . 0.0 111.909 175.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.1 tt -56.65 -42.95 79.78 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.124 0.97 . . . . 0.0 110.609 175.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.5 m -63.34 -24.06 67.69 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.006 1.322 . . . . 0.0 113.653 178.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -121.42 -62.45 1.42 Allowed 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 -170.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.1 m -79.82 -6.91 10.06 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 CA-C-N 119.377 0.989 . . . . 0.0 113.587 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.7 m 40.4 38.13 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 127.827 2.451 . . . . 0.0 115.977 175.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 53.49 35.09 19.83 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.987 1.715 . . . . 0.0 114.392 -176.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.6 p -48.17 -30.63 2.72 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 125.901 1.68 . . . . 0.0 115.028 -176.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.03 -27.65 46.14 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.938 1.295 . . . . 0.0 114.423 175.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.1 tp -60.45 -50.93 71.61 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.478 1.111 . . . . 0.0 112.016 174.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -72.42 -32.53 66.42 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 123.889 0.875 . . . . 0.0 111.729 -178.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.17 -51.46 66.3 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.587 0.755 . . . . 0.0 111.808 171.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -56.29 -36.72 68.94 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 121.093 -1.004 . . . . 0.0 111.883 173.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.28 -0.81 1.89 Allowed Glycine 0 CA--C 1.537 1.459 0 C-N-CA 126.059 1.79 . . . . 0.0 117.229 173.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 pp -143.64 -20.79 0.6 Allowed 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.332 1.566 . . . . 0.0 114.75 170.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -134.69 -48.03 0.75 Allowed 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.191 1.396 . . . . 0.0 112.271 177.611 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.263 0.0 OUTLIER 41.91 33.59 0.36 Allowed 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 127.188 2.195 . . . . 0.0 115.312 -179.81 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.4 tp -70.33 -24.65 63.04 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.061 1.744 . . . . 0.0 114.1 -171.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -145.53 2.83 1.12 Allowed Glycine 0 CA--C 1.532 1.152 0 N-CA-C 116.303 1.281 . . . . 0.0 116.303 -171.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.48 -15.39 63.53 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-N 118.667 1.234 . . . . 0.0 113.958 175.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.0 m -139.24 3.86 2.19 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 -168.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 174.55 -173.95 46.32 Favored Glycine 0 CA--C 1.541 1.673 0 N-CA-C 116.404 1.322 . . . . 0.0 116.404 -177.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -44.6 127.35 7.75 Favored 'Trans proline' 0 C--N 1.353 0.776 1 C-N-CA 126.127 4.551 . . . . 0.0 115.411 -179.378 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -155.36 -1.58 0.15 Allowed 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 115.292 1.59 . . . . 0.0 115.292 -177.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -95.97 15.02 21.69 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 125.172 1.389 . . . . 0.0 114.194 -166.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -137.92 164.77 28.16 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.343 1.857 . . . . 0.0 111.231 -178.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -138.62 163.2 32.69 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.78 1.632 . . . . 0.0 110.234 175.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.1 m -64.35 142.96 58.23 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.913 0.885 . . . . 0.0 112.849 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -138.47 174.31 10.68 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 126.812 2.045 . . . . 0.0 111.302 -177.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -167.22 177.99 41.56 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 124.586 1.089 . . . . 0.0 113.832 177.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -130.16 11.22 5.46 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 125.91 1.684 . . . . 0.0 114.12 -174.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 173.39 -22.04 0.07 OUTLIER Glycine 0 CA--C 1.538 1.477 0 N-CA-C 115.48 0.952 . . . . 0.0 115.48 178.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.339 0 O-C-N 120.475 -1.603 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 18.9 m . . . . . 0 N--CA 1.492 1.637 0 N-CA-C 111.521 0.193 . . . . 0.0 111.521 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 33.8 m -127.38 18.42 3.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 C-N-CA 125.708 1.603 . . . . 0.0 112.297 174.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.3 t80 45.33 34.26 1.46 Allowed 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 127.187 2.195 . . . . 0.0 114.768 -171.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 58.17 16.68 4.05 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 127.327 2.251 . . . . 0.0 116.244 172.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.4 m -55.18 -36.39 39.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 N-CA-C 114.236 1.198 . . . . 0.0 114.236 -173.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.47 -44.57 70.92 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.597 0.759 . . . . 0.0 112.242 175.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 tt -58.76 -44.13 90.5 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.155 0.982 . . . . 0.0 110.756 177.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.7 m -66.69 -15.19 63.33 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.092 1.357 . . . . 0.0 113.973 177.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -125.14 -68.87 0.82 Allowed 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.074 1.138 . . . . 0.0 114.074 -171.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.4 m -75.07 -13.5 15.35 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 CA-C-N 119.557 1.071 . . . . 0.0 113.73 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 29.8 m 44.47 34.6 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 127.713 2.405 . . . . 0.0 116.137 172.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 57.01 31.8 20.55 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.834 1.653 . . . . 0.0 114.256 -175.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.0 p -48.96 -32.48 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 125.26 1.424 . . . . 0.0 114.075 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.48 -32.37 66.9 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 175.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 67.4 tp -65.58 -50.44 65.1 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.899 0.88 . . . . 0.0 111.173 175.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -69.95 -33.34 71.99 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.102 0.961 . . . . 0.0 112.206 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.14 -50.76 69.17 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.138 0.975 . . . . 0.0 111.731 169.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -56.54 -37.17 70.14 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.649 1.113 . . . . 0.0 111.846 173.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.75 1.98 2.15 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 125.798 1.666 . . . . 0.0 117.087 174.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.6 pp -141.79 -29.26 0.62 Allowed 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 119.189 1.494 . . . . 0.0 114.285 169.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -134.27 -45.84 0.77 Allowed 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.968 1.307 . . . . 0.0 112.428 175.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.258 0.0 OUTLIER 40.82 35.02 0.3 Allowed 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 127.234 2.214 . . . . 0.0 114.935 -179.869 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.2 tp -74.35 -20.25 60.16 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.572 1.549 . . . . 0.0 113.957 -167.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -144.3 -1.47 0.92 Allowed Glycine 0 CA--C 1.534 1.275 0 N-CA-C 116.512 1.365 . . . . 0.0 116.512 -174.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.05 -16.15 63.1 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 118.942 1.371 . . . . 0.0 114.08 175.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.8 m -140.59 10.75 2.27 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.885 1.274 . . . . 0.0 114.266 -169.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -178.76 178.97 48.88 Favored Glycine 0 CA--C 1.539 1.543 0 N-CA-C 115.506 0.962 . . . . 0.0 115.506 -176.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -63.4 141.31 80.69 Favored 'Trans proline' 0 CA--C 1.538 0.699 0 C-N-CA 124.183 3.256 . . . . 0.0 112.267 -178.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -157.04 7.09 0.16 Allowed 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 -168.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -104.45 9.11 35.74 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 114.804 1.409 . . . . 0.0 114.804 -164.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -137.57 168.21 20.12 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 126.285 1.834 . . . . 0.0 111.029 -176.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -141.85 158.55 43.66 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.222 1.409 . . . . 0.0 111.474 176.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 27.1 m -56.5 145.58 27.45 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.831 1.253 . . . . 0.0 113.218 175.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -139.14 174.6 10.34 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 126.498 1.919 . . . . 0.0 111.495 178.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -164.16 175.14 40.29 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 124.783 1.182 . . . . 0.0 113.496 177.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -130.99 4.93 4.5 Favored 'General case' 0 N--CA 1.483 1.225 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 -171.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -172.4 6.94 0.03 OUTLIER Glycine 0 CA--C 1.537 1.467 0 N-CA-C 116.476 1.35 . . . . 0.0 116.476 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 O-C-N 120.162 -1.787 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 8.2 m . . . . . 0 N--CA 1.492 1.626 0 N-CA-C 111.636 0.236 . . . . 0.0 111.636 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.8 m -133.8 26.03 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 C-N-CA 125.917 1.687 . . . . 0.0 111.913 178.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 18.7 t80 47.45 35.74 4.41 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 126.222 1.809 . . . . 0.0 114.02 -170.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 56.89 18.72 4.03 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 126.907 2.083 . . . . 0.0 115.998 172.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.8 m -52.26 -35.91 20.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 N-CA-C 115.232 1.567 . . . . 0.0 115.232 -170.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.05 -46.17 62.5 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.918 0.781 . . . . 0.0 112.306 175.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.5 tt -57.6 -45.94 84.68 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.514 1.125 . . . . 0.0 110.678 177.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.1 m -69.65 -6.91 34.59 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.063 1.345 . . . . 0.0 113.883 178.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -128.45 -71.32 0.65 Allowed 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 119.74 1.154 . . . . 0.0 113.837 -175.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 17.4 m -73.78 -14.83 16.58 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 CA-C-N 119.565 1.075 . . . . 0.0 113.709 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.2 m 41.94 36.88 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 127.996 2.519 . . . . 0.0 115.942 173.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 55.51 37.05 28.36 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.59 1.556 . . . . 0.0 114.315 -176.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.9 p -45.22 -30.83 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 126.392 1.877 . . . . 0.0 114.906 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.9 -35.57 61.76 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.849 1.26 . . . . 0.0 114.33 175.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 51.4 tp -63.0 -50.45 70.69 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.097 0.959 . . . . 0.0 111.522 175.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -71.58 -28.38 63.79 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.067 0.947 . . . . 0.0 112.205 -176.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.41 -52.97 26.96 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.88 0.872 . . . . 0.0 112.139 166.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -55.47 -37.55 67.92 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 120.924 -1.11 . . . . 0.0 112.528 178.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.27 2.48 3.04 Favored Glycine 0 CA--C 1.539 1.574 0 N-CA-C 116.633 1.413 . . . . 0.0 116.633 176.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.8 pp -140.59 -29.54 0.68 Allowed 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 118.91 1.355 . . . . 0.0 113.878 168.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -125.15 -54.33 1.6 Allowed 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.212 1.405 . . . . 0.0 111.217 170.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.263 0.0 OUTLIER 41.46 28.81 0.08 Allowed 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 126.563 1.945 . . . . 0.0 115.522 -174.252 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 34.7 tp -68.56 -16.61 63.92 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.693 1.997 . . . . 0.0 113.458 -174.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -149.21 -2.97 0.31 Allowed Glycine 0 CA--C 1.534 1.27 0 N-CA-C 116.524 1.369 . . . . 0.0 116.524 -174.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.11 -14.59 63.09 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-N 118.99 1.395 . . . . 0.0 113.991 175.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.5 m -140.44 12.71 2.35 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.149 1.38 . . . . 0.0 114.069 -171.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -176.48 176.8 47.94 Favored Glycine 0 CA--C 1.541 1.677 0 O-C-N 120.969 -1.082 . . . . 0.0 115.175 -178.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -59.78 144.79 99.38 Favored 'Trans proline' 0 CA--C 1.538 0.707 0 C-N-CA 123.365 2.71 . . . . 0.0 111.749 178.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -157.35 14.74 0.25 Allowed 'General case' 0 CA--C 1.551 1.004 0 N-CA-C 114.997 1.481 . . . . 0.0 114.997 -171.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -120.09 20.32 12.11 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 125.126 1.37 . . . . 0.0 114.268 -166.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -138.54 167.15 22.55 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 126.698 1.999 . . . . 0.0 110.565 175.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -142.06 155.62 45.39 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.472 1.509 . . . . 0.0 110.733 177.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.2 m -56.61 146.27 25.81 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.493 1.517 . . . . 0.0 114.076 -178.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -139.3 174.0 10.97 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 126.197 1.799 . . . . 0.0 112.459 -176.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.03 179.53 41.19 Favored Glycine 0 CA--C 1.539 1.556 0 C-N-CA 125.89 1.71 . . . . 0.0 112.686 175.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -129.43 11.85 5.88 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 125.281 1.432 . . . . 0.0 114.552 -174.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -177.28 -15.89 0.02 OUTLIER Glycine 0 CA--C 1.537 1.461 0 N-CA-C 116.246 1.258 . . . . 0.0 116.246 178.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 O-C-N 120.285 -1.715 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 9.4 m . . . . . 0 N--CA 1.493 1.68 0 N-CA-C 111.539 0.2 . . . . 0.0 111.539 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 31.7 m -133.16 23.53 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 C-N-CA 125.75 1.62 . . . . 0.0 111.87 174.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 47.9 32.64 2.86 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 126.256 1.822 . . . . 0.0 114.393 -171.545 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 56.72 21.33 5.81 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 127.141 2.176 . . . . 0.0 115.964 177.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 29.6 m -59.47 -32.96 49.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 O-C-N 120.751 -1.218 . . . . 0.0 113.179 178.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.74 -47.95 73.55 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.686 0.794 . . . . 0.0 111.951 174.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.0 tt -56.69 -44.34 81.38 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.944 0.898 . . . . 0.0 110.273 173.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.1 m -63.56 -21.77 66.53 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.114 1.366 . . . . 0.0 113.8 179.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -123.42 -65.23 1.1 Allowed 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 -170.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.9 m -76.59 -10.36 13.23 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 CA-C-N 119.54 1.063 . . . . 0.0 113.683 -179.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.4 m 40.76 38.68 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 127.938 2.495 . . . . 0.0 115.663 175.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 54.54 37.95 28.89 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.94 1.696 . . . . 0.0 114.354 -176.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.2 p -45.86 -33.07 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 C-N-CA 125.688 1.595 . . . . 0.0 114.804 -179.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.38 -29.31 63.96 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 114.337 1.236 . . . . 0.0 114.337 175.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.1 tp -61.97 -51.11 69.39 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.65 1.18 . . . . 0.0 111.355 174.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -70.34 -34.43 72.66 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.105 0.962 . . . . 0.0 111.959 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.75 -51.23 69.18 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.473 0.709 . . . . 0.0 111.74 171.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -57.1 -37.33 71.78 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.048 -1.033 . . . . 0.0 111.847 173.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.86 0.61 4.11 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 125.518 1.532 . . . . 0.0 116.91 175.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 pp -142.76 -18.79 0.67 Allowed 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 119.273 1.536 . . . . 0.0 114.834 171.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -135.45 -51.14 0.75 Allowed 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.874 1.27 . . . . 0.0 112.39 179.23 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.275 0.0 OUTLIER 40.84 34.41 0.27 Allowed 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 127.272 2.229 . . . . 0.0 115.372 -179.053 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 33.6 tp -72.4 -23.12 61.05 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.106 1.762 . . . . 0.0 113.997 -172.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -152.77 6.18 0.45 Allowed Glycine 0 CA--C 1.534 1.261 0 N-CA-C 117.152 1.621 . . . . 0.0 117.152 -168.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.41 -21.42 64.68 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 119.085 1.442 . . . . 0.0 113.969 177.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.5 m -144.35 14.99 1.64 Allowed 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.811 1.244 . . . . 0.0 114.309 -169.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -171.62 176.3 44.85 Favored Glycine 0 CA--C 1.54 1.595 0 O-C-N 120.916 -1.115 . . . . 0.0 115.305 -176.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -64.59 135.04 43.69 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 123.897 3.065 . . . . 0.0 111.957 -175.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -155.44 11.09 0.32 Allowed 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 -174.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -110.16 17.98 20.43 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 125.295 1.438 . . . . 0.0 113.725 -167.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -136.31 165.28 26.14 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 126.967 2.107 . . . . 0.0 110.339 177.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -141.32 160.44 40.11 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.278 1.431 . . . . 0.0 110.418 175.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 67.6 m -63.98 143.94 57.48 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.281 1.032 . . . . 0.0 112.682 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 -135.16 173.88 11.23 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 126.52 1.928 . . . . 0.0 111.393 -176.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.34 178.17 43.19 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 124.427 1.013 . . . . 0.0 113.936 177.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -130.76 13.12 5.34 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.878 1.671 . . . . 0.0 113.853 -175.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 172.62 -25.67 0.08 OUTLIER Glycine 0 CA--C 1.536 1.38 0 C-N-CA 124.111 0.862 . . . . 0.0 115.214 176.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.262 0 O-C-N 120.498 -1.589 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 8.7 m . . . . . 0 N--CA 1.492 1.662 0 N-CA-C 111.676 0.25 . . . . 0.0 111.676 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.4 m -130.77 25.35 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 126.151 1.78 . . . . 0.0 111.723 176.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.1 t80 46.9 31.99 1.68 Allowed 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 127.128 2.171 . . . . 0.0 114.902 -171.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 55.34 24.69 6.77 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 126.893 2.077 . . . . 0.0 115.694 174.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 31.2 m -57.89 -38.06 64.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -177.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.95 -42.63 69.52 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.472 0.709 . . . . 0.0 112.186 176.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.9 tt -58.57 -44.01 89.61 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.134 0.974 . . . . 0.0 110.43 175.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.5 m -65.05 -19.03 65.79 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.184 1.394 . . . . 0.0 113.535 177.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -118.93 -72.62 0.68 Allowed 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.283 1.033 . . . . 0.0 113.403 -171.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.2 m -76.16 -15.04 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 -178.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.0 m 44.13 35.08 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 128.095 2.558 . . . . 0.0 115.829 172.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 54.17 36.89 26.01 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.771 1.629 . . . . 0.0 113.939 -175.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.0 p -45.11 -33.75 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 126.067 1.747 . . . . 0.0 114.663 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.45 -31.94 64.45 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 114.269 1.211 . . . . 0.0 114.269 176.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.9 tp -61.16 -52.75 63.54 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.344 1.057 . . . . 0.0 111.247 175.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -70.13 -36.36 74.72 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.599 1.159 . . . . 0.0 111.996 -178.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.9 -49.94 70.7 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.984 0.914 . . . . 0.0 111.998 173.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -58.09 -36.9 73.52 Favored 'General case' 0 N--CA 1.471 0.625 0 O-C-N 121.022 -1.049 . . . . 0.0 111.501 173.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.52 1.67 2.14 Favored Glycine 0 CA--C 1.539 1.533 0 C-N-CA 125.855 1.693 . . . . 0.0 116.987 174.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.8 pp -140.32 -30.19 0.67 Allowed 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.349 1.574 . . . . 0.0 114.424 168.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -132.46 -46.08 0.9 Allowed 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.436 1.495 . . . . 0.0 112.173 176.488 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.267 0.0 OUTLIER 41.23 36.33 0.48 Allowed 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 127.554 2.342 . . . . 0.0 114.89 179.562 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 23.8 tp -78.8 -22.14 46.74 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.379 1.472 . . . . 0.0 114.448 -166.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -150.77 9.1 0.74 Allowed Glycine 0 CA--C 1.533 1.197 0 N-CA-C 117.053 1.581 . . . . 0.0 117.053 -167.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.65 -22.88 66.1 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 119.012 1.406 . . . . 0.0 113.992 178.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.1 m -145.17 14.05 1.45 Allowed 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.894 1.277 . . . . 0.0 114.256 -170.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -170.57 177.67 43.59 Favored Glycine 0 CA--C 1.54 1.621 0 O-C-N 120.822 -1.174 . . . . 0.0 115.752 -174.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -65.56 136.0 44.54 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 124.076 3.184 . . . . 0.0 112.5 -173.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -156.87 13.98 0.27 Allowed 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 -174.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -110.43 14.84 22.48 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 -163.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -136.94 167.04 22.24 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.414 1.886 . . . . 0.0 110.887 178.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -142.03 161.94 36.72 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.641 1.576 . . . . 0.0 110.471 174.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.4 m -58.91 145.83 39.91 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.604 1.162 . . . . 0.0 112.979 176.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -135.5 175.2 9.81 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 126.305 1.842 . . . . 0.0 111.938 -176.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -164.41 176.53 40.3 Favored Glycine 0 CA--C 1.537 1.446 0 C-N-CA 125.113 1.339 . . . . 0.0 113.847 178.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -133.5 9.68 4.0 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 125.509 1.524 . . . . 0.0 114.848 -171.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -170.78 -15.19 0.02 OUTLIER Glycine 0 CA--C 1.539 1.566 0 N-CA-C 116.566 1.387 . . . . 0.0 116.566 -179.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.279 0 O-C-N 120.274 -1.721 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 16.5 m . . . . . 0 N--CA 1.493 1.697 0 N-CA-C 111.55 0.204 . . . . 0.0 111.55 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.9 m -128.69 18.87 2.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 C-N-CA 125.738 1.615 . . . . 0.0 112.029 174.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER 44.78 33.17 0.92 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 127.357 2.263 . . . . 0.0 115.121 -171.397 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 58.19 19.63 6.34 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.958 2.103 . . . . 0.0 115.612 172.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 33.8 m -59.55 -35.31 58.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 O-C-N 121.128 -0.982 . . . . 0.0 113.601 -175.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.92 -48.76 65.06 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.467 0.707 . . . . 0.0 111.736 175.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.3 tt -56.33 -43.12 78.7 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.043 0.937 . . . . 0.0 110.482 174.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 35.9 m -63.53 -22.79 67.09 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.169 1.388 . . . . 0.0 113.758 178.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -122.31 -63.93 1.24 Allowed 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 -169.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.5 m -76.01 -9.87 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 CA-C-N 119.445 1.02 . . . . 0.0 113.478 178.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.8 m 39.76 39.87 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 127.963 2.505 . . . . 0.0 115.896 175.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 56.8 34.93 25.51 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.281 1.833 . . . . 0.0 114.61 -177.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.2 p -44.75 -34.81 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 C-N-CA 125.776 1.63 . . . . 0.0 114.903 -179.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.95 -34.25 69.72 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 177.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.5 tp -63.32 -46.33 87.17 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.08 0.952 . . . . 0.0 111.545 175.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -75.22 -32.76 61.25 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.049 0.94 . . . . 0.0 112.159 -177.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.63 -51.52 66.95 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.773 0.829 . . . . 0.0 111.444 167.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -58.1 -36.13 72.44 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.081 -1.012 . . . . 0.0 111.968 174.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.51 -0.9 2.94 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 126.302 1.906 . . . . 0.0 116.867 174.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.6 pp -140.26 -27.46 0.75 Allowed 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 119.163 1.482 . . . . 0.0 114.277 169.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -133.69 -44.48 0.81 Allowed 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.316 1.446 . . . . 0.0 112.559 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.257 0.0 OUTLIER 40.82 36.83 0.44 Allowed 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 127.473 2.309 . . . . 0.0 114.93 178.228 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.4 tp -70.08 -28.78 65.69 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.271 1.429 . . . . 0.0 114.412 -164.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -144.5 7.43 1.77 Allowed Glycine 0 CA--C 1.533 1.207 0 N-CA-C 116.843 1.497 . . . . 0.0 116.843 -168.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.31 -24.41 67.27 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 119.077 1.438 . . . . 0.0 113.829 177.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.0 m -145.1 16.69 1.55 Allowed 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.058 1.343 . . . . 0.0 113.932 -172.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -170.38 175.68 44.22 Favored Glycine 0 CA--C 1.542 1.732 0 N-CA-C 116.181 1.232 . . . . 0.0 116.181 -175.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -65.9 135.07 39.69 Favored 'Trans proline' 0 CA--C 1.54 0.791 0 C-N-CA 124.424 3.416 . . . . 0.0 112.698 -174.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -154.33 4.56 0.26 Allowed 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 115.691 1.737 . . . . 0.0 115.691 -170.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -106.66 14.79 26.5 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.875 1.27 . . . . 0.0 114.381 -167.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -135.59 162.06 33.77 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 126.113 1.765 . . . . 0.0 111.537 -176.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -144.56 152.88 41.19 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.71 1.604 . . . . 0.0 110.889 175.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.8 m -55.05 148.65 13.35 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 126.371 1.868 . . . . 0.0 115.091 -176.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -138.02 176.37 8.76 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 127.028 2.131 . . . . 0.0 111.56 -178.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.36 -178.09 39.87 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 124.471 1.034 . . . . 0.0 114.148 179.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 -126.74 4.2 6.7 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 125.708 1.603 . . . . 0.0 114.955 -174.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -168.8 10.08 0.05 OUTLIER Glycine 0 CA--C 1.539 1.571 0 N-CA-C 116.215 1.246 . . . . 0.0 116.215 -179.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 O-C-N 120.261 -1.729 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 28.6 m . . . . . 0 N--CA 1.494 1.729 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.7 m -119.98 22.72 5.22 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 C-N-CA 125.983 1.713 . . . . 0.0 111.249 168.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.2 t80 38.87 37.13 0.18 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 128.447 2.699 . . . . 0.0 115.268 -167.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 57.72 18.28 4.69 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 126.645 1.978 . . . . 0.0 115.427 172.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 31.3 m -61.4 -36.56 73.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 O-C-N 121.014 -1.054 . . . . 0.0 113.389 -173.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.94 -45.75 69.96 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.582 0.753 . . . . 0.0 111.868 175.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.5 tt -56.12 -43.74 78.45 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.459 1.104 . . . . 0.0 110.538 174.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.8 m -66.14 -22.76 66.39 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.007 1.323 . . . . 0.0 113.709 178.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -119.66 -66.17 1.09 Allowed 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 -169.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.3 m -76.41 -10.47 13.34 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 179.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.2 m 40.36 37.96 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 C-N-CA 127.844 2.458 . . . . 0.0 116.146 174.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 54.21 37.4 27.15 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.949 1.7 . . . . 0.0 114.423 -175.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.8 p -44.9 -35.36 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.215 0 C-N-CA 126.214 1.806 . . . . 0.0 114.804 -178.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.96 -26.78 64.74 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 114.578 1.325 . . . . 0.0 114.578 177.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.4 tp -64.98 -46.34 81.87 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.05 0.94 . . . . 0.0 111.851 176.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -70.71 -33.87 71.32 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.642 0.777 . . . . 0.0 111.627 178.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.88 -50.1 72.23 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.361 0.664 . . . . 0.0 111.807 170.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -55.59 -38.89 70.0 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 121.142 -0.974 . . . . 0.0 111.941 173.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.49 2.7 3.1 Favored Glycine 0 CA--C 1.536 1.398 0 N-CA-C 117.021 1.568 . . . . 0.0 117.021 176.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.6 pp -141.35 -27.92 0.67 Allowed 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 119.088 1.444 . . . . 0.0 114.452 169.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -133.7 -50.22 0.84 Allowed 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.937 1.295 . . . . 0.0 112.092 -179.301 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.273 0.0 OUTLIER 40.03 35.91 0.27 Allowed 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 127.496 2.318 . . . . 0.0 115.063 -179.459 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.3 tp -69.2 -28.4 66.35 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.883 1.673 . . . . 0.0 113.938 -170.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -149.45 4.31 0.68 Allowed Glycine 0 N--CA 1.474 1.219 0 N-CA-C 117.248 1.659 . . . . 0.0 117.248 -168.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.2 -20.5 65.72 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-N 119.138 1.469 . . . . 0.0 113.911 177.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.0 m -143.01 16.13 1.92 Allowed 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.873 1.269 . . . . 0.0 114.004 -171.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -171.85 172.22 44.56 Favored Glycine 0 CA--C 1.541 1.7 0 O-C-N 120.914 -1.116 . . . . 0.0 115.467 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -56.3 138.01 82.03 Favored 'Trans proline' 0 CA--C 1.539 0.75 0 C-N-CA 124.318 3.345 . . . . 0.0 112.934 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -157.57 12.43 0.21 Allowed 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 115.246 1.573 . . . . 0.0 115.246 -171.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -116.17 16.98 15.89 Favored 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 114.81 1.411 . . . . 0.0 114.81 -163.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -136.6 170.55 15.88 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 126.058 1.743 . . . . 0.0 110.778 174.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -143.14 152.88 42.29 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.264 1.426 . . . . 0.0 110.693 175.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 41.9 m -53.33 146.6 11.87 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.678 1.591 . . . . 0.0 114.88 -177.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.3 mmt180 -138.19 176.89 8.3 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 126.845 2.058 . . . . 0.0 111.49 -178.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -164.55 178.21 39.86 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 124.697 1.141 . . . . 0.0 113.778 177.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -131.04 14.29 5.21 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 125.753 1.621 . . . . 0.0 114.108 -173.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 176.28 -24.52 0.06 OUTLIER Glycine 0 CA--C 1.538 1.494 0 N-CA-C 115.404 0.922 . . . . 0.0 115.404 177.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.343 0 O-C-N 120.552 -1.557 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 16.9 m . . . . . 0 N--CA 1.492 1.643 0 N-CA-C 111.621 0.23 . . . . 0.0 111.621 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 26.8 m -126.52 25.93 2.65 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 C-N-CA 126.142 1.777 . . . . 0.0 111.374 171.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 8.9 t80 41.38 39.47 1.03 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 127.878 2.471 . . . . 0.0 115.002 -169.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 59.21 19.55 7.6 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.259 1.824 . . . . 0.0 115.759 167.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.5 m -57.61 -36.72 55.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -174.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.1 -48.59 42.8 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.471 0.708 . . . . 0.0 111.94 174.132 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.4 tt -55.85 -40.59 73.11 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.638 1.175 . . . . 0.0 111.243 178.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.4 m -69.83 -14.6 62.83 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.227 1.411 . . . . 0.0 113.626 178.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -125.61 -57.28 1.46 Allowed 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 -169.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.3 m -83.03 -10.99 12.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 CA-C-N 119.356 0.98 . . . . 0.0 113.323 176.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 30.8 m 37.73 41.59 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.225 0 C-N-CA 128.026 2.53 . . . . 0.0 115.918 175.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 55.16 39.01 31.31 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.811 1.644 . . . . 0.0 114.56 -177.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.4 p -44.57 -32.17 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 C-N-CA 126.4 1.88 . . . . 0.0 114.822 177.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.3 -35.25 62.43 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.689 1.196 . . . . 0.0 114.075 175.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.6 tp -62.27 -49.53 75.32 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.95 0.9 . . . . 0.0 111.592 175.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -72.15 -32.07 66.56 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.913 0.885 . . . . 0.0 112.134 -176.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.98 -53.81 40.33 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.705 0.802 . . . . 0.0 111.803 168.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -56.59 -37.35 70.5 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 121.245 -0.909 . . . . 0.0 112.252 176.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.8 1.38 3.37 Favored Glycine 0 CA--C 1.539 1.536 0 C-N-CA 126.003 1.763 . . . . 0.0 116.785 177.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 pp -140.93 -27.1 0.72 Allowed 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 118.822 1.311 . . . . 0.0 114.076 167.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -135.37 -45.35 0.69 Allowed 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.993 1.317 . . . . 0.0 112.37 -178.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.273 0.0 OUTLIER 41.1 35.83 0.41 Allowed 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 127.818 2.447 . . . . 0.0 115.468 176.485 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 37.9 tp -66.82 -26.71 67.06 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.819 1.648 . . . . 0.0 114.407 -170.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -142.14 -2.43 1.17 Allowed Glycine 0 CA--C 1.533 1.183 0 N-CA-C 117.027 1.571 . . . . 0.0 117.027 -167.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.44 -12.98 62.11 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 118.986 1.393 . . . . 0.0 113.973 174.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.8 m -139.49 5.83 2.26 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 -169.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 178.66 179.75 48.56 Favored Glycine 0 CA--C 1.541 1.668 0 N-CA-C 116.106 1.202 . . . . 0.0 116.106 -179.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -51.53 131.79 38.2 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 124.934 3.756 . . . . 0.0 113.759 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -156.41 6.73 0.19 Allowed 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 115.043 1.497 . . . . 0.0 115.043 -175.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -112.71 21.66 15.33 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 125.133 1.373 . . . . 0.0 113.721 -167.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -136.13 164.67 27.51 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 126.728 2.011 . . . . 0.0 110.17 173.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -141.89 158.32 43.92 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.451 1.501 . . . . 0.0 110.509 175.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.4 m -56.46 148.34 19.53 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.953 1.301 . . . . 0.0 114.403 -177.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -138.2 170.99 15.07 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 126.345 1.858 . . . . 0.0 112.212 -177.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.48 179.58 40.36 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 125.692 1.615 . . . . 0.0 112.857 178.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -132.74 23.61 4.3 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 125.391 1.477 . . . . 0.0 113.707 -171.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -177.97 -21.76 0.03 OUTLIER Glycine 0 CA--C 1.536 1.401 0 N-CA-C 115.711 1.044 . . . . 0.0 115.711 177.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.254 0 O-C-N 120.393 -1.651 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 16.1 m . . . . . 0 N--CA 1.493 1.678 0 N-CA-C 111.534 0.198 . . . . 0.0 111.534 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.7 m -130.23 26.79 1.69 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.371 0 C-N-CA 126.024 1.73 . . . . 0.0 111.662 176.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.3 t80 42.69 41.13 2.3 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 127.55 2.34 . . . . 0.0 115.127 -171.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 59.61 22.86 11.57 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 115.492 1.664 . . . . 0.0 115.492 163.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 20.5 m -54.87 -26.12 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 N-CA-C 115.418 1.636 . . . . 0.0 115.418 -172.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -88.53 -46.46 9.08 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.664 0.786 . . . . 0.0 112.553 171.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 tt -57.9 -45.15 86.89 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.444 1.098 . . . . 0.0 111.473 -178.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.1 m -71.19 -10.41 59.71 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.014 1.326 . . . . 0.0 113.498 178.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -124.3 -74.4 0.61 Allowed 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.029 -1.044 . . . . 0.0 113.256 -171.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 18.4 m -72.2 -15.02 17.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.6 m 41.51 38.15 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.2 0 C-N-CA 127.662 2.385 . . . . 0.0 115.816 174.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 55.12 38.04 29.85 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.99 1.716 . . . . 0.0 114.262 -176.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.6 p -47.48 -30.81 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 125.748 1.619 . . . . 0.0 114.985 -177.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.2 -28.56 53.9 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.905 1.282 . . . . 0.0 114.26 174.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 67.6 tp -61.37 -45.88 92.52 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.434 1.093 . . . . 0.0 112.113 174.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -74.62 -31.7 62.08 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 123.483 0.713 . . . . 0.0 111.972 -178.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.78 -51.76 65.84 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.236 0.615 . . . . 0.0 111.478 168.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -56.78 -38.24 72.23 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.037 -1.04 . . . . 0.0 111.99 173.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.59 2.42 3.44 Favored Glycine 0 CA--C 1.538 1.479 0 C-N-CA 125.75 1.643 . . . . 0.0 116.854 176.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.4 pp -141.44 -29.07 0.64 Allowed 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 118.957 1.379 . . . . 0.0 114.305 170.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -131.83 -51.48 0.98 Allowed 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 125.462 1.505 . . . . 0.0 111.522 179.209 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.27 0.0 OUTLIER 41.99 31.78 0.25 Allowed 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 127.746 2.418 . . . . 0.0 115.506 -179.757 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.3 tp -68.49 -27.1 65.84 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.312 1.845 . . . . 0.0 114.233 -171.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -146.86 11.44 1.44 Allowed Glycine 0 CA--C 1.533 1.207 0 N-CA-C 116.174 1.23 . . . . 0.0 116.174 -168.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.68 -24.52 67.6 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 118.636 1.218 . . . . 0.0 113.897 178.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.2 m -145.23 13.22 1.41 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.821 1.248 . . . . 0.0 114.215 -171.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -171.35 179.07 43.37 Favored Glycine 0 CA--C 1.54 1.607 0 N-CA-C 116.457 1.343 . . . . 0.0 116.457 -172.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -64.47 135.97 48.43 Favored 'Trans proline' 0 CA--C 1.537 0.646 0 C-N-CA 124.483 3.455 . . . . 0.0 112.594 -173.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -156.87 11.36 0.23 Allowed 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 -174.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -119.37 27.65 8.67 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 125.297 1.439 . . . . 0.0 113.711 -166.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 57.4 mttp -138.22 164.02 30.25 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 127.306 2.242 . . . . 0.0 109.88 174.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -143.09 151.9 41.25 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.093 1.357 . . . . 0.0 110.23 174.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.8 m -55.56 147.04 18.84 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 125.504 1.522 . . . . 0.0 114.493 -177.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 -138.5 173.16 11.89 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 126.062 1.745 . . . . 0.0 112.756 -175.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -164.61 179.51 39.3 Favored Glycine 0 CA--C 1.538 1.52 0 C-N-CA 126.22 1.867 . . . . 0.0 112.514 176.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -129.23 8.08 5.51 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 114.997 1.48 . . . . 0.0 114.997 -171.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 176.96 -18.78 0.04 OUTLIER Glycine 0 CA--C 1.536 1.405 0 N-CA-C 116.078 1.191 . . . . 0.0 116.078 177.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 O-C-N 120.393 -1.651 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 17.3 m . . . . . 0 N--CA 1.493 1.717 0 N-CA-C 111.415 0.154 . . . . 0.0 111.415 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.0 m -131.5 24.23 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 C-N-CA 125.655 1.582 . . . . 0.0 112.526 -177.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 26.3 t80 48.09 36.14 6.1 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 126.19 1.796 . . . . 0.0 114.257 -169.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 54.29 30.67 12.87 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 126.14 1.776 . . . . 0.0 115.683 167.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 24.0 m -58.33 -5.2 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.225 0 N-CA-C 116.519 2.044 . . . . 0.0 116.519 -177.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -118.43 -35.63 3.72 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.84 1.256 . . . . 0.0 113.422 171.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.9 tt -67.88 -48.1 67.01 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.293 1.037 . . . . 0.0 111.027 176.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 38.1 m -69.44 -24.34 63.8 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 121.085 -1.009 . . . . 0.0 112.772 176.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -104.71 -69.88 0.79 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.838 0.855 . . . . 0.0 113.253 -171.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 t -75.74 -35.55 31.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 O-C-N 121.185 -0.947 . . . . 0.0 112.082 -174.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.7 m 41.26 39.45 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 C-N-CA 128.209 2.604 . . . . 0.0 115.505 175.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 56.95 43.17 25.11 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.668 1.587 . . . . 0.0 113.932 -177.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.8 p -43.32 -32.57 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 126.03 1.732 . . . . 0.0 114.139 173.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.18 -34.71 64.08 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.83 1.252 . . . . 0.0 114.23 175.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.1 tp -65.84 -49.09 69.43 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.704 1.138 . . . . 0.0 111.572 176.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -66.39 -37.55 85.51 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.034 0.934 . . . . 0.0 111.867 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.68 -53.06 53.39 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.967 0.907 . . . . 0.0 112.09 172.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -56.28 -35.86 67.96 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.078 -1.014 . . . . 0.0 112.242 176.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.63 -0.78 2.96 Favored Glycine 0 CA--C 1.538 1.471 0 N-CA-C 117.084 1.594 . . . . 0.0 117.084 174.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 pp -141.35 -24.84 0.72 Allowed 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 119.042 1.421 . . . . 0.0 114.355 168.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -135.33 -50.07 0.74 Allowed 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.382 1.473 . . . . 0.0 112.136 177.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.282 0.0 OUTLIER 41.5 32.89 0.25 Allowed 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 127.404 2.281 . . . . 0.0 115.458 -175.76 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 35.5 tp -68.78 -24.27 64.39 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.955 1.702 . . . . 0.0 113.686 -175.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -158.74 11.04 0.2 Allowed Glycine 0 CA--C 1.535 1.295 0 N-CA-C 117.295 1.678 . . . . 0.0 117.295 -169.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.41 -15.82 63.61 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 119.1 1.45 . . . . 0.0 114.403 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.0 m -147.27 22.96 1.18 Allowed 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.534 1.534 . . . . 0.0 113.384 -178.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -172.09 172.18 44.62 Favored Glycine 0 CA--C 1.539 1.59 0 O-C-N 120.879 -1.138 . . . . 0.0 115.228 179.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -53.83 139.87 68.43 Favored 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 124.307 3.338 . . . . 0.0 113.276 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -157.2 11.69 0.22 Allowed 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 114.467 1.284 . . . . 0.0 114.467 -174.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -122.25 21.32 10.41 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 125.622 1.569 . . . . 0.0 113.532 -166.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -133.96 166.59 22.34 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 127.192 2.197 . . . . 0.0 110.313 173.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -141.81 162.52 35.28 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.822 1.249 . . . . 0.0 110.807 179.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 45.0 m -62.06 144.32 55.39 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.814 0.846 . . . . 0.0 112.403 173.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -138.47 172.71 12.49 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 126.447 1.899 . . . . 0.0 111.215 -179.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -165.33 177.63 40.61 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 124.628 1.109 . . . . 0.0 113.705 179.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -131.45 11.48 4.91 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 125.499 1.52 . . . . 0.0 114.134 -171.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 173.55 -22.6 0.07 OUTLIER Glycine 0 CA--C 1.54 1.638 0 N-CA-C 115.48 0.952 . . . . 0.0 115.48 178.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.216 0 O-C-N 120.472 -1.605 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.6 m . . . . . 0 N--CA 1.487 1.39 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 11.7 t80 44.53 36.32 1.66 Allowed 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 126.527 1.931 . . . . 0.0 114.144 -167.555 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 56.27 20.46 4.61 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 127.129 2.172 . . . . 0.0 116.17 173.042 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.1 m -52.73 -36.51 23.14 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 N-CA-C 114.622 1.341 . . . . 0.0 114.622 -174.208 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.68 -47.07 56.68 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.313 0.645 . . . . 0.0 112.17 174.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 tt -58.26 -43.54 87.93 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.427 1.091 . . . . 0.0 111.185 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.4 m -65.47 -16.88 64.1 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.724 1.209 . . . . 0.0 113.843 177.03 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -120.16 -68.91 0.88 Allowed 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.225 1.01 . . . . 0.0 113.574 -171.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 16.7 m . . . . . 0 N--CA 1.482 1.149 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 179.823 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.4 m . . . . . 0 N--CA 1.482 1.145 0 N-CA-C 116.21 1.93 . . . . 0.0 116.21 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 56.27 30.89 17.5 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 126.005 1.722 . . . . 0.0 114.832 -177.366 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.9 p -50.65 -25.17 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 126.13 1.772 . . . . 0.0 115.188 -178.303 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.91 -30.08 44.75 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.53 1.132 . . . . 0.0 113.938 173.359 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.9 tp -62.29 -46.96 86.42 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.993 0.917 . . . . 0.0 112.029 173.284 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -70.72 -34.1 71.55 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.707 0.803 . . . . 0.0 111.923 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.04 -51.71 66.9 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.398 0.679 . . . . 0.0 111.686 170.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -57.15 -38.29 73.32 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.174 -0.954 . . . . 0.0 112.042 174.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.24 -0.55 4.59 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 125.78 1.657 . . . . 0.0 116.744 176.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.6 pp . . . . . 0 N--CA 1.474 0.769 0 CA-C-N 119.184 1.492 . . . . 0.0 114.3 170.916 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.47 0.569 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.271 0.0 OUTLIER 41.37 34.72 0.37 Allowed 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 127.741 2.416 . . . . 0.0 115.977 175.496 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.2 tp . . . . . 0 CA--C 1.543 0.706 0 C-N-CA 125.76 1.624 . . . . 0.0 114.494 -171.527 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.069 0 N-CA-C 116.898 1.519 . . . . 0.0 116.898 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.72 -30.32 71.33 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 118.895 1.348 . . . . 0.0 113.575 178.215 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.3 m -145.74 19.15 1.48 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.119 1.368 . . . . 0.0 113.758 -172.295 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -165.25 174.16 41.09 Favored Glycine 0 CA--C 1.541 1.677 0 N-CA-C 116.091 1.197 . . . . 0.0 116.091 -174.169 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -67.82 132.0 25.56 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 124.164 3.243 . . . . 0.0 112.297 -172.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -155.88 11.25 0.29 Allowed 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 -173.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.9 mmtt -114.62 25.42 11.02 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 125.028 1.331 . . . . 0.0 113.859 -167.034 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -137.25 164.27 28.93 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 126.337 1.855 . . . . 0.0 110.347 176.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -143.1 159.93 41.35 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.004 1.322 . . . . 0.0 111.367 175.709 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.5 m -59.56 150.27 27.61 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.33 1.452 . . . . 0.0 114.228 -176.462 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -139.29 170.39 16.03 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 126.674 1.99 . . . . 0.0 111.824 -177.031 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -173.81 174.87 46.39 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 124.767 1.175 . . . . 0.0 113.731 176.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -133.72 9.46 3.92 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 125.653 1.581 . . . . 0.0 114.353 -174.396 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.405 0 C-N-CA 124.38 0.991 . . . . 0.0 114.953 -175.768 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.2 m . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 121.423 0.63 . . . . 0.0 111.961 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 3.5 t80 48.81 28.71 1.99 Allowed 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.671 1.988 . . . . 0.0 114.65 -172.185 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 54.87 21.23 3.51 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 127.355 2.262 . . . . 0.0 115.736 176.211 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 29.6 m -52.94 -37.26 25.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 -169.641 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.59 -45.55 65.11 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 118.73 0.695 . . . . 0.0 112.192 175.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.9 tt -59.59 -43.29 93.74 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.42 1.088 . . . . 0.0 110.753 177.118 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.4 m -63.33 -17.93 63.09 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.672 1.189 . . . . 0.0 113.768 175.232 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -115.48 -69.89 0.83 Allowed 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.456 1.103 . . . . 0.0 113.476 -172.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 15.4 m . . . . . 0 N--CA 1.483 1.216 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 -178.855 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.0 m . . . . . 0 N--CA 1.483 1.223 0 N-CA-C 115.785 1.772 . . . . 0.0 115.785 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 55.85 31.19 17.22 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 126.109 1.764 . . . . 0.0 114.856 -177.015 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.9 p -49.67 -29.51 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 C-N-CA 126.012 1.725 . . . . 0.0 115.558 -173.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.43 -27.06 45.54 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.434 1.094 . . . . 0.0 113.855 174.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.2 tp -61.1 -41.2 96.23 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.278 1.031 . . . . 0.0 112.491 173.097 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -76.14 -32.08 58.92 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 121.689 -0.632 . . . . 0.0 111.978 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.09 -49.92 72.57 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.241 0.616 . . . . 0.0 111.284 168.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -56.71 -40.65 76.02 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 121.276 -0.89 . . . . 0.0 111.814 171.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.74 3.66 3.63 Favored Glycine 0 CA--C 1.537 1.433 0 C-N-CA 126.012 1.768 . . . . 0.0 116.627 177.436 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.5 pp . . . . . 0 N--CA 1.472 0.653 0 CA-C-N 119.068 1.434 . . . . 0.0 114.159 171.305 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.47 0.541 0 CA-C-O 119.256 -0.402 . . . . 0.0 111.337 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.278 0.0 OUTLIER 40.33 37.51 0.44 Allowed 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 127.502 2.321 . . . . 0.0 114.905 179.248 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 38.8 tp . . . . . 0 CA--C 1.543 0.679 0 C-N-CA 126.193 1.797 . . . . 0.0 114.491 -169.369 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.089 0 N-CA-C 117.711 1.844 . . . . 0.0 117.711 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.6 -28.85 70.2 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 119.292 1.546 . . . . 0.0 113.58 177.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.4 m -145.47 19.34 1.53 Allowed 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.16 1.384 . . . . 0.0 113.737 -172.066 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -164.86 175.15 40.85 Favored Glycine 0 CA--C 1.54 1.613 0 O-C-N 120.846 -1.159 . . . . 0.0 115.657 -174.225 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -66.75 128.41 18.88 Favored 'Trans proline' 0 CA--C 1.537 0.667 0 C-N-CA 124.13 3.22 . . . . 0.0 112.497 -171.487 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -155.59 14.44 0.36 Allowed 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -175.189 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.7 mmtm -125.92 29.82 5.82 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 125.568 1.547 . . . . 0.0 113.09 -164.398 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -138.69 163.78 31.24 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 127.41 2.284 . . . . 0.0 109.123 172.625 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -142.2 161.14 38.77 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.589 1.155 . . . . 0.0 111.493 174.09 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.2 m -57.19 147.13 25.89 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.57 1.548 . . . . 0.0 114.121 -177.106 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -138.13 170.0 16.81 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 126.551 1.94 . . . . 0.0 111.622 -178.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -175.43 176.93 47.41 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 124.872 1.225 . . . . 0.0 113.704 176.496 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -131.62 9.23 4.63 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 125.678 1.591 . . . . 0.0 114.184 -175.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.398 0 C-N-CA 124.481 1.038 . . . . 0.0 114.948 -176.693 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 33.6 m . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 121.383 0.611 . . . . 0.0 111.74 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 4.1 t80 48.33 30.15 2.19 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 126.801 2.041 . . . . 0.0 114.429 -170.056 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 56.46 15.71 2.15 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 127.939 2.495 . . . . 0.0 116.235 175.277 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 34.9 m -54.7 -34.08 29.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 N-CA-C 114.891 1.441 . . . . 0.0 114.891 -170.218 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.94 -50.03 46.03 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.086 0.554 . . . . 0.0 112.092 174.465 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.6 tt -56.27 -43.46 78.79 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.697 1.199 . . . . 0.0 110.649 176.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 48.1 m -62.73 -17.64 61.18 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.127 1.371 . . . . 0.0 114.203 177.014 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -123.15 -64.66 1.15 Allowed 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -172.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.9 m . . . . . 0 N--CA 1.482 1.155 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 179.563 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 32.6 m . . . . . 0 N--CA 1.485 1.275 0 N-CA-C 116.265 1.95 . . . . 0.0 116.265 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 52.42 37.41 22.58 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.386 1.474 . . . . 0.0 113.822 -172.419 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.2 p -49.96 -29.01 4.86 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 125.401 1.48 . . . . 0.0 114.465 -176.169 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.25 -26.46 40.03 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.137 1.375 . . . . 0.0 113.78 173.082 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.2 tp -59.84 -48.15 82.85 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.127 1.371 . . . . 0.0 111.838 173.583 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -75.47 -32.07 60.48 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.858 0.863 . . . . 0.0 111.466 -178.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.94 -48.28 77.14 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.349 0.66 . . . . 0.0 111.769 169.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -59.32 -37.25 77.3 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 120.892 -1.13 . . . . 0.0 111.545 171.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.61 3.01 1.5 Allowed Glycine 0 CA--C 1.538 1.522 0 C-N-CA 126.126 1.822 . . . . 0.0 116.995 172.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 pp . . . . . 0 N--CA 1.474 0.767 0 CA-C-N 118.837 1.319 . . . . 0.0 114.315 169.901 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 . . . . . 0 N--CA 1.467 0.407 0 CA-C-O 118.841 -0.6 . . . . 0.0 112.007 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.274 0.0 OUTLIER 40.87 35.69 0.36 Allowed 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 127.181 2.192 . . . . 0.0 114.624 -179.471 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 37.5 tp . . . . . 0 CA--C 1.542 0.666 0 C-N-CA 125.82 1.648 . . . . 0.0 114.029 -164.249 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.293 0 N-CA-C 115.359 0.904 . . . . 0.0 115.359 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.55 -32.62 73.61 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 118.552 1.176 . . . . 0.0 113.608 178.067 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.1 m -146.49 13.47 1.21 Allowed 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 -171.205 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -166.58 178.12 41.13 Favored Glycine 0 CA--C 1.542 1.746 0 N-CA-C 116.542 1.377 . . . . 0.0 116.542 -170.25 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -66.68 134.18 34.33 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 124.66 3.574 . . . . 0.0 113.155 -171.304 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -156.61 17.7 0.32 Allowed 'General case' 0 CA--C 1.551 0.981 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 -172.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.1 mmtm -133.2 32.96 3.66 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 124.772 1.229 . . . . 0.0 113.556 -169.171 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -137.14 165.34 26.31 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 126.929 2.091 . . . . 0.0 109.377 165.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -144.17 164.52 30.46 Favored 'General case' 0 CA--C 1.56 1.357 0 C-N-CA 124.48 1.112 . . . . 0.0 112.05 176.072 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 60.9 m -57.16 151.12 16.08 Favored 'General case' 0 N--CA 1.517 2.916 0 C-N-CA 125.708 1.603 . . . . 0.0 111.967 178.266 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 62.1 mmt-85 -145.81 172.39 13.39 Favored 'General case' 0 N--CA 1.53 3.547 0 C-N-CA 125.735 1.614 . . . . 0.0 110.042 -178.688 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -167.66 173.86 42.69 Favored Glycine 0 CA--C 1.541 1.715 0 C-N-CA 125.342 1.449 . . . . 0.0 113.099 175.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -133.48 8.3 3.92 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 125.451 1.5 . . . . 0.0 114.708 -171.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.479 0 N-CA-C 116.544 1.377 . . . . 0.0 116.544 -179.172 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.2 m . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 121.416 0.627 . . . . 0.0 112.015 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 19.8 t80 46.39 38.26 5.1 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.379 1.872 . . . . 0.0 114.059 -167.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 57.37 21.86 7.26 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.461 1.904 . . . . 0.0 116.124 167.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.3 m -52.78 -32.92 18.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 N-CA-C 114.556 1.317 . . . . 0.0 114.556 -175.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.5 -51.9 18.06 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.48 0.712 . . . . 0.0 112.183 172.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.1 tt -55.99 -43.57 77.77 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.775 1.23 . . . . 0.0 111.476 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 49.3 m -65.36 -17.52 64.59 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.82 1.248 . . . . 0.0 113.939 178.011 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -124.58 -62.52 1.25 Allowed 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 114.036 1.125 . . . . 0.0 114.036 -171.12 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.3 m . . . . . 0 N--CA 1.484 1.243 0 CA-C-N 119.575 1.08 . . . . 0.0 113.555 178.653 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.8 m . . . . . 0 N--CA 1.483 1.185 0 N-CA-C 116.403 2.001 . . . . 0.0 116.403 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 53.02 33.96 15.99 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 125.355 1.462 . . . . 0.0 114.134 -174.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.8 p -51.55 -24.0 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 125.866 1.666 . . . . 0.0 115.082 -175.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.58 -27.01 15.03 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.189 1.396 . . . . 0.0 114.32 171.315 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 58.0 tp -55.87 -51.1 68.74 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.808 1.243 . . . . 0.0 112.098 171.517 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -74.64 -31.87 62.09 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.848 0.859 . . . . 0.0 111.824 -178.094 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.78 -52.03 65.89 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.399 0.68 . . . . 0.0 111.515 170.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -57.53 -39.84 77.49 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.168 -0.957 . . . . 0.0 111.714 173.287 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.49 1.55 3.0 Favored Glycine 0 CA--C 1.539 1.556 0 C-N-CA 125.8 1.667 . . . . 0.0 116.912 176.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.1 pp . . . . . 0 N--CA 1.473 0.684 0 CA-C-N 119.207 1.504 . . . . 0.0 114.392 170.123 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.54 0.562 0 CA-C-O 119.181 -0.438 . . . . 0.0 111.921 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.268 0.0 OUTLIER 41.21 35.44 0.4 Allowed 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 127.687 2.395 . . . . 0.0 115.751 176.792 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 30.6 tp . . . . . 0 CA--C 1.544 0.748 0 C-N-CA 125.667 1.587 . . . . 0.0 114.455 -171.548 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.075 0 N-CA-C 116.948 1.539 . . . . 0.0 116.948 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.93 -31.19 72.29 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 118.872 1.336 . . . . 0.0 113.825 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.7 m -146.18 17.92 1.38 Allowed 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 114.304 1.224 . . . . 0.0 114.304 -169.291 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -165.87 176.47 41.28 Favored Glycine 0 CA--C 1.54 1.643 0 O-C-N 120.793 -1.192 . . . . 0.0 115.471 -174.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -64.96 129.24 22.63 Favored 'Trans proline' 0 CA--C 1.538 0.689 0 C-N-CA 124.15 3.234 . . . . 0.0 112.171 -174.231 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -154.47 12.86 0.41 Allowed 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 115.333 1.605 . . . . 0.0 115.333 -170.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -130.66 34.75 4.08 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 125.325 1.45 . . . . 0.0 112.935 -172.4 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -134.85 161.64 34.64 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 126.807 2.043 . . . . 0.0 109.061 169.118 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -143.42 162.01 36.9 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.622 1.169 . . . . 0.0 110.902 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 38.0 m -58.43 141.72 50.68 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.348 1.059 . . . . 0.0 112.885 175.544 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -135.77 174.71 10.32 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 126.278 1.831 . . . . 0.0 111.539 -178.023 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -169.43 174.62 43.8 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 124.761 1.172 . . . . 0.0 113.584 174.312 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -131.11 11.07 5.01 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 125.566 1.546 . . . . 0.0 114.105 -175.64 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.463 0 C-N-CA 124.54 1.066 . . . . 0.0 115.002 -177.974 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 26.9 m . . . . . 0 N--CA 1.488 1.425 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 13.0 t80 47.2 34.67 3.15 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 126.195 1.798 . . . . 0.0 114.046 -170.064 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 55.49 25.23 7.59 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.948 2.099 . . . . 0.0 115.828 172.557 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 18.2 m -51.91 -38.08 22.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 N-CA-C 114.398 1.258 . . . . 0.0 114.398 -177.289 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.57 -46.5 66.25 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.435 0.694 . . . . 0.0 112.186 175.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 tt -56.57 -44.67 81.23 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.667 1.187 . . . . 0.0 110.745 177.009 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.6 m -67.8 -17.13 64.42 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.97 1.308 . . . . 0.0 114.067 177.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -120.81 -68.81 0.88 Allowed 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 119.695 1.134 . . . . 0.0 113.809 -171.362 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 18.0 m . . . . . 0 N--CA 1.483 1.224 0 CA-C-N 119.478 1.035 . . . . 0.0 113.591 178.777 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.8 m . . . . . 0 N--CA 1.483 1.177 0 N-CA-C 116.319 1.97 . . . . 0.0 116.319 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 56.59 31.03 18.38 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.037 1.735 . . . . 0.0 114.52 -176.363 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.5 p -51.45 -26.59 6.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 125.476 1.511 . . . . 0.0 114.781 -177.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.22 -29.01 57.12 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 114.09 1.144 . . . . 0.0 114.09 172.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.4 tp -64.83 -48.51 74.12 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.005 0.922 . . . . 0.0 111.89 173.132 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -69.62 -33.53 72.78 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.311 0.644 . . . . 0.0 112.088 177.596 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.33 -46.78 85.08 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.62 0.768 . . . . 0.0 112.0 170.273 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -58.27 -37.49 75.07 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 120.839 -1.163 . . . . 0.0 111.682 172.361 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.69 1.5 3.2 Favored Glycine 0 CA--C 1.539 1.556 0 C-N-CA 125.756 1.645 . . . . 0.0 116.698 173.315 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.1 pp . . . . . 0 N--CA 1.475 0.786 0 CA-C-N 119.49 1.645 . . . . 0.0 114.548 171.758 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.472 0.626 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.286 0.0 OUTLIER 40.27 38.42 0.54 Allowed 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 127.357 2.263 . . . . 0.0 115.252 -177.924 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.2 tp . . . . . 0 CA--C 1.544 0.732 0 C-N-CA 126.048 1.739 . . . . 0.0 114.355 -173.001 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.111 0 N-CA-C 117.702 1.841 . . . . 0.0 117.702 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.58 -23.21 67.19 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 119.473 1.637 . . . . 0.0 113.585 176.06 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.2 m -142.94 20.15 1.96 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.499 1.519 . . . . 0.0 113.592 -174.145 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -169.19 173.0 43.6 Favored Glycine 0 CA--C 1.542 1.771 0 O-C-N 120.905 -1.122 . . . . 0.0 115.882 -176.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -68.47 133.19 27.38 Favored 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 124.115 3.21 . . . . 0.0 112.17 -175.109 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -154.49 15.05 0.44 Allowed 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 -168.163 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.5 mmtm -129.22 31.25 4.89 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 125.012 1.325 . . . . 0.0 113.856 -168.111 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -136.14 164.61 27.65 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 126.076 1.75 . . . . 0.0 110.41 172.179 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -145.63 160.19 42.04 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.153 1.381 . . . . 0.0 111.049 177.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.9 m -63.41 148.22 49.1 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.25 1.02 . . . . 0.0 112.681 175.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -139.21 171.96 13.53 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 126.009 1.724 . . . . 0.0 112.518 -174.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -173.18 177.6 45.54 Favored Glycine 0 CA--C 1.538 1.527 0 C-N-CA 125.424 1.488 . . . . 0.0 113.427 175.688 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -131.95 9.47 4.53 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 125.781 1.633 . . . . 0.0 114.268 -175.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.339 0 C-N-CA 124.959 1.266 . . . . 0.0 114.705 -173.593 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 26.8 m . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 121.334 0.587 . . . . 0.0 111.985 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 17.3 t80 48.34 32.9 3.44 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.446 1.899 . . . . 0.0 114.136 -169.696 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 54.88 22.25 4.16 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 126.897 2.079 . . . . 0.0 115.652 173.136 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 32.8 m -57.94 -34.47 48.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 -175.025 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.66 -48.92 58.14 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.642 0.777 . . . . 0.0 111.976 175.182 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.1 tt -56.93 -44.05 82.1 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.071 0.948 . . . . 0.0 110.652 177.1 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.0 m -71.34 -3.84 22.87 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.443 1.497 . . . . 0.0 113.603 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -132.53 -68.15 0.62 Allowed 'General case' 0 CA--C 1.545 0.764 0 O-C-N 120.862 -1.149 . . . . 0.0 113.947 -177.326 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.5 m . . . . . 0 N--CA 1.482 1.157 0 CA-C-N 119.437 1.017 . . . . 0.0 113.708 -178.699 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.8 m . . . . . 0 N--CA 1.481 1.122 0 N-CA-C 115.775 1.768 . . . . 0.0 115.775 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 56.44 35.17 25.5 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.879 1.671 . . . . 0.0 114.551 -178.017 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.7 p -46.2 -33.48 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 125.672 1.589 . . . . 0.0 114.658 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.6 -33.75 68.53 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.448 1.099 . . . . 0.0 113.915 175.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.2 tp -64.07 -45.78 87.26 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.013 0.925 . . . . 0.0 111.42 175.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -72.55 -35.73 68.09 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.08 0.952 . . . . 0.0 112.169 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.49 -49.75 75.52 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.738 0.815 . . . . 0.0 111.681 170.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -56.59 -41.02 76.28 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.235 -0.916 . . . . 0.0 111.554 171.528 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.07 6.1 4.26 Favored Glycine 0 CA--C 1.538 1.488 0 C-N-CA 126.206 1.86 . . . . 0.0 116.978 176.021 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.4 pp . . . . . 0 N--CA 1.473 0.699 0 CA-C-N 119.375 1.588 . . . . 0.0 114.052 170.226 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.471 0.599 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.283 0.0 OUTLIER 40.77 42.3 1.4 Allowed 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 126.941 2.096 . . . . 0.0 114.466 -177.881 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 31.2 tp . . . . . 0 CA--C 1.544 0.725 0 C-N-CA 125.956 1.702 . . . . 0.0 114.17 -170.849 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.105 0 N-CA-C 118.441 2.136 . . . . 0.0 118.441 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.0 -21.13 66.38 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 119.611 1.706 . . . . 0.0 113.901 177.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.1 m -142.37 16.37 2.04 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.1 1.36 . . . . 0.0 114.09 -170.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -172.41 176.67 45.31 Favored Glycine 0 CA--C 1.541 1.718 0 O-C-N 120.858 -1.151 . . . . 0.0 115.547 -175.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -64.3 131.59 30.72 Favored 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 124.095 3.197 . . . . 0.0 112.183 -175.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -155.94 11.62 0.3 Allowed 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 115.612 1.708 . . . . 0.0 115.612 -169.733 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 41.1 mmtm -130.43 33.07 4.34 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 125.354 1.462 . . . . 0.0 113.063 -170.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -135.75 163.59 29.84 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 126.408 1.883 . . . . 0.0 109.929 171.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -143.82 159.55 42.33 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.229 1.412 . . . . 0.0 110.19 177.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.3 m -58.84 145.07 42.23 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.71 1.204 . . . . 0.0 113.039 177.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -136.98 170.38 16.2 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 126.189 1.796 . . . . 0.0 111.904 -177.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -174.21 -179.32 44.76 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 125.017 1.294 . . . . 0.0 113.298 177.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -130.23 15.69 5.61 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 125.697 1.599 . . . . 0.0 113.729 -175.173 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.411 0 N-CA-C 115.595 0.998 . . . . 0.0 115.595 178.835 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 25.6 m . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 121.937 0.875 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 10.9 t80 43.4 45.14 5.2 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 127.618 2.367 . . . . 0.0 115.11 -174.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 59.69 23.52 12.35 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 115.779 1.77 . . . . 0.0 115.779 163.355 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 18.0 m -55.54 -30.24 25.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 -175.563 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.62 -52.11 10.3 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 118.869 0.759 . . . . 0.0 112.222 174.166 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.4 tt -57.37 -43.31 83.45 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.413 1.085 . . . . 0.0 111.169 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.6 m -73.38 -2.42 22.18 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.278 1.431 . . . . 0.0 113.404 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -131.08 -70.89 0.58 Allowed 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.0 -1.062 . . . . 0.0 113.273 -177.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.6 m . . . . . 0 N--CA 1.482 1.168 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 -178.071 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 31.6 m . . . . . 0 N--CA 1.482 1.136 0 N-CA-C 116.103 1.89 . . . . 0.0 116.103 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 54.22 38.26 28.89 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.442 1.497 . . . . 0.0 114.099 -174.607 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.6 p -44.51 -31.48 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 C-N-CA 126.992 2.117 . . . . 0.0 114.947 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.58 -35.91 61.35 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.502 1.121 . . . . 0.0 113.876 175.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.5 tp -63.92 -46.52 84.44 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.784 0.833 . . . . 0.0 111.915 175.492 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -73.02 -33.53 65.81 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.06 0.944 . . . . 0.0 112.201 -177.485 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.88 -51.59 63.85 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.68 0.792 . . . . 0.0 111.579 168.299 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -57.54 -36.64 71.89 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.165 -0.96 . . . . 0.0 112.319 175.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.69 0.79 2.82 Favored Glycine 0 CA--C 1.538 1.47 0 C-N-CA 125.964 1.745 . . . . 0.0 116.714 175.495 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.7 pp . . . . . 0 N--CA 1.473 0.725 0 CA-C-N 118.936 1.368 . . . . 0.0 114.283 168.993 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.471 0.6 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.268 0.0 OUTLIER 40.74 37.78 0.54 Allowed 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 127.368 2.267 . . . . 0.0 115.367 178.117 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.2 tp . . . . . 0 CA--C 1.545 0.761 0 C-N-CA 125.623 1.569 . . . . 0.0 114.384 -170.233 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.151 0 N-CA-C 116.718 1.447 . . . . 0.0 116.718 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.23 -24.55 67.71 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 118.887 1.344 . . . . 0.0 114.042 179.025 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.1 m -142.01 16.14 2.1 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.281 1.432 . . . . 0.0 114.113 -174.479 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -171.72 175.66 45.08 Favored Glycine 0 CA--C 1.54 1.639 0 N-CA-C 116.297 1.279 . . . . 0.0 116.297 -176.117 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -65.87 137.78 50.48 Favored 'Trans proline' 0 CA--C 1.538 0.695 0 C-N-CA 124.316 3.344 . . . . 0.0 112.504 -175.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -156.71 15.91 0.3 Allowed 'General case' 0 CA--C 1.553 1.072 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -169.433 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -127.14 24.95 6.28 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 125.314 1.445 . . . . 0.0 113.974 -166.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -136.53 165.57 25.55 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.566 1.946 . . . . 0.0 109.719 171.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -141.47 162.76 34.7 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.098 1.359 . . . . 0.0 110.671 176.136 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 38.3 m -59.15 144.86 44.51 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.665 1.186 . . . . 0.0 113.473 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 32.9 mmt180 -138.52 175.4 9.6 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 126.446 1.899 . . . . 0.0 112.001 -176.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -164.36 176.4 40.28 Favored Glycine 0 CA--C 1.537 1.406 0 C-N-CA 125.854 1.692 . . . . 0.0 112.385 174.451 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -130.01 19.81 5.45 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 124.803 1.241 . . . . 0.0 113.803 -172.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.496 0 C-N-CA 124.39 0.995 . . . . 0.0 115.445 179.378 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.7 m . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 121.38 0.61 . . . . 0.0 111.824 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . 0.253 2.5 t80 40.75 44.05 1.79 Allowed 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 127.964 2.506 . . . . 0.0 115.313 -171.711 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 62.11 22.57 13.21 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 115.853 1.797 . . . . 0.0 115.853 163.164 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 15.9 m -51.56 -29.73 10.23 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 N-CA-C 115.457 1.651 . . . . 0.0 115.457 -176.181 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -89.55 -46.69 8.49 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.645 0.778 . . . . 0.0 112.617 174.192 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.2 tt -57.25 -47.44 81.37 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.447 1.099 . . . . 0.0 111.232 -177.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.3 m -69.72 -9.17 53.42 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.253 1.421 . . . . 0.0 113.617 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -126.29 -73.56 0.62 Allowed 'General case' 0 CA--C 1.543 0.709 0 O-C-N 120.972 -1.08 . . . . 0.0 113.299 -172.712 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 29.0 m . . . . . 0 N--CA 1.482 1.146 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -177.816 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 32.0 m . . . . . 0 N--CA 1.481 1.115 0 N-CA-C 116.053 1.872 . . . . 0.0 116.053 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 53.44 38.17 27.34 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.353 1.461 . . . . 0.0 113.873 -174.53 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.6 p -45.56 -32.11 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 C-N-CA 126.236 1.814 . . . . 0.0 114.767 -178.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.52 -31.95 57.2 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.919 1.288 . . . . 0.0 114.336 175.384 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.2 tp -61.4 -52.19 65.63 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.279 1.032 . . . . 0.0 111.537 175.238 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -71.9 -33.84 68.65 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.245 1.018 . . . . 0.0 111.921 -178.298 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.58 -50.72 70.17 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.752 0.821 . . . . 0.0 111.895 170.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -59.5 -36.36 75.92 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 120.899 -1.125 . . . . 0.0 111.674 174.071 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.73 2.36 2.64 Favored Glycine 0 CA--C 1.538 1.5 0 C-N-CA 125.854 1.692 . . . . 0.0 116.91 173.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.3 pp . . . . . 0 N--CA 1.473 0.72 0 CA-C-N 119.247 1.524 . . . . 0.0 114.481 170.182 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.469 0.508 0 CA-C-O 118.805 -0.617 . . . . 0.0 112.635 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.282 0.0 OUTLIER 40.8 40.42 0.97 Allowed 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 126.967 2.107 . . . . 0.0 114.625 179.548 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.3 tp . . . . . 0 CA--C 1.542 0.667 0 C-N-CA 126.492 1.917 . . . . 0.0 114.143 -171.564 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.143 0 N-CA-C 117.524 1.77 . . . . 0.0 117.524 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.12 -26.99 69.08 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 119.274 1.537 . . . . 0.0 113.82 178.557 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.8 m -145.96 20.97 1.44 Allowed 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.054 1.341 . . . . 0.0 113.464 -174.208 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -167.09 173.37 42.33 Favored Glycine 0 CA--C 1.541 1.667 0 N-CA-C 116.083 1.193 . . . . 0.0 116.083 -175.286 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -65.94 134.01 35.67 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 124.209 3.273 . . . . 0.0 112.221 -174.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -156.59 8.97 0.21 Allowed 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 -174.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.3 mmtt -115.14 23.63 12.34 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 125.209 1.404 . . . . 0.0 113.739 -168.6 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -136.37 162.38 33.18 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 126.582 1.953 . . . . 0.0 110.159 177.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -143.45 164.68 29.63 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.113 1.365 . . . . 0.0 111.024 176.226 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 68.3 m -64.82 144.49 57.22 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.805 0.842 . . . . 0.0 112.248 174.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -138.75 176.66 8.5 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 126.511 1.924 . . . . 0.0 111.587 -176.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.32 176.19 41.62 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 124.936 1.255 . . . . 0.0 113.632 175.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -130.16 5.4 4.88 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 125.675 1.59 . . . . 0.0 114.628 -174.414 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.421 0 C-N-CA 124.195 0.902 . . . . 0.0 115.079 -177.228 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.6 m . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 121.27 0.557 . . . . 0.0 112.032 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.3 t80 41.46 44.08 2.38 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 127.103 2.161 . . . . 0.0 114.636 -168.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 62.43 21.71 12.76 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 115.91 1.818 . . . . 0.0 115.91 163.57 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 18.0 m -52.57 -23.74 5.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 -179.098 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -102.21 -45.35 5.16 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.379 1.072 . . . . 0.0 112.762 173.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 tt -59.09 -44.19 91.91 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.906 0.882 . . . . 0.0 111.718 -177.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.3 m -70.93 -13.29 61.96 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.138 -0.976 . . . . 0.0 113.311 177.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -119.53 -72.04 0.71 Allowed 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.348 1.059 . . . . 0.0 113.247 -169.105 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 19.5 m . . . . . 0 N--CA 1.482 1.138 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 179.381 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.1 m . . . . . 0 N--CA 1.484 1.263 0 N-CA-C 116.01 1.856 . . . . 0.0 116.01 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 54.63 37.76 28.72 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.912 1.685 . . . . 0.0 114.343 -174.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.2 p -46.68 -31.28 1.5 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 C-N-CA 126.134 1.774 . . . . 0.0 114.682 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.32 -30.2 50.4 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.872 1.269 . . . . 0.0 114.216 175.001 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 67.3 tp -61.16 -44.72 96.87 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.365 1.066 . . . . 0.0 112.042 173.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -79.61 -31.75 41.74 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.239 1.016 . . . . 0.0 111.785 -177.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.05 -51.3 68.54 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.388 0.675 . . . . 0.0 111.404 167.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -56.36 -38.45 71.42 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.075 -1.016 . . . . 0.0 111.738 171.234 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.22 -1.1 1.99 Allowed Glycine 0 CA--C 1.538 1.507 0 C-N-CA 126.18 1.848 . . . . 0.0 117.229 174.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 pp . . . . . 0 N--CA 1.474 0.768 0 CA-C-N 119.261 1.531 . . . . 0.0 114.341 170.254 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.47 0.53 0 CA-C-O 119.099 -0.477 . . . . 0.0 112.181 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.266 0.0 OUTLIER 42.12 34.82 0.51 Allowed 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 127.934 2.494 . . . . 0.0 115.518 176.073 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.3 tp . . . . . 0 CA--C 1.542 0.651 0 C-N-CA 125.152 1.381 . . . . 0.0 114.34 -168.846 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 117.03 1.572 . . . . 0.0 117.03 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.53 -22.89 56.78 Favored 'General case' 0 CA--C 1.552 1.04 0 CA-C-N 118.691 1.245 . . . . 0.0 113.239 168.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.1 m -142.72 25.46 1.81 Allowed 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.323 1.849 . . . . 0.0 112.524 179.289 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -167.61 175.36 42.6 Favored Glycine 0 CA--C 1.542 1.731 0 N-CA-C 116.406 1.323 . . . . 0.0 116.406 -172.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -67.47 127.78 17.09 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 124.417 3.411 . . . . 0.0 112.872 -172.005 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -154.25 9.1 0.35 Allowed 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 115.268 1.581 . . . . 0.0 115.268 -174.525 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -119.37 19.94 12.63 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 125.151 1.38 . . . . 0.0 113.777 -166.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -135.51 164.42 27.85 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 126.379 1.871 . . . . 0.0 110.794 178.513 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -141.37 164.41 30.32 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.751 1.62 . . . . 0.0 111.132 177.151 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 57.1 m -62.7 143.92 56.9 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.965 0.906 . . . . 0.0 112.319 175.152 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -138.33 171.81 13.83 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 126.326 1.85 . . . . 0.0 111.523 -178.237 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.39 178.63 40.81 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 124.849 1.214 . . . . 0.0 113.696 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -133.26 21.19 4.03 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 125.771 1.628 . . . . 0.0 113.693 -171.644 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.484 0 N-CA-C 115.636 1.014 . . . . 0.0 115.636 177.281 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.1 m . . . . . 0 N--CA 1.487 1.392 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 5.6 t80 46.78 37.11 4.38 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 125.915 1.686 . . . . 0.0 113.547 -168.079 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 55.39 24.37 6.58 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 127.292 2.237 . . . . 0.0 116.328 172.658 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 26.1 m -54.63 -36.41 35.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 -179.013 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.61 -50.6 24.23 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.446 0.699 . . . . 0.0 111.861 175.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.7 tt -56.58 -43.16 79.79 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.269 1.028 . . . . 0.0 111.069 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.8 m -67.49 -12.72 60.99 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.27 1.428 . . . . 0.0 113.595 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -126.27 -68.09 0.83 Allowed 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.319 1.048 . . . . 0.0 113.526 -173.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 31.0 m . . . . . 0 N--CA 1.483 1.209 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -179.349 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.1 m . . . . . 0 N--CA 1.482 1.148 0 N-CA-C 116.092 1.886 . . . . 0.0 116.092 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 57.08 32.29 21.42 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.972 1.709 . . . . 0.0 114.621 -176.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.2 p -47.19 -31.04 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 125.894 1.678 . . . . 0.0 114.743 -178.56 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.38 -34.33 66.57 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 176.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 62.6 tp -64.83 -49.01 72.29 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.895 0.878 . . . . 0.0 111.436 174.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -68.02 -36.32 79.74 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.443 1.097 . . . . 0.0 112.081 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.78 -52.17 61.48 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.362 1.065 . . . . 0.0 111.753 171.044 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -56.07 -37.17 68.95 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.086 -1.009 . . . . 0.0 111.971 176.262 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.81 0.38 3.28 Favored Glycine 0 CA--C 1.539 1.536 0 N-CA-C 117.214 1.646 . . . . 0.0 117.214 175.194 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 CA--C 1.546 0.815 0 CA-C-N 119.261 1.531 . . . . 0.0 114.905 171.317 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 N--CA 1.471 0.579 0 CA-C-O 118.935 -0.555 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.275 0.0 OUTLIER 41.23 34.53 0.33 Allowed 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 127.14 2.176 . . . . 0.0 115.006 -177.149 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.2 tp . . . . . 0 CA--C 1.546 0.823 0 C-N-CA 125.684 1.594 . . . . 0.0 113.848 -171.08 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.271 0 N-CA-C 117.277 1.671 . . . . 0.0 117.277 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.48 -17.6 63.63 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 119.328 1.564 . . . . 0.0 114.225 177.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.0 m -140.65 15.49 2.34 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.044 1.338 . . . . 0.0 113.638 -171.379 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -176.01 175.26 47.34 Favored Glycine 0 CA--C 1.538 1.508 0 O-C-N 121.087 -1.008 . . . . 0.0 114.876 -178.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -62.01 141.86 90.57 Favored 'Trans proline' 0 CA--C 1.537 0.646 0 C-N-CA 123.706 2.937 . . . . 0.0 112.2 -178.63 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -157.35 6.23 0.15 Allowed 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 -172.015 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -107.59 16.69 23.5 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 125.599 1.56 . . . . 0.0 113.546 -170.036 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -135.89 162.36 33.05 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 126.749 2.02 . . . . 0.0 110.471 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -140.51 156.92 46.18 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.546 1.539 . . . . 0.0 110.394 173.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 68.8 m -62.64 146.36 52.29 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.362 1.065 . . . . 0.0 113.147 -178.284 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -136.36 174.4 10.65 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 126.658 1.983 . . . . 0.0 111.487 -176.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -164.24 177.71 39.84 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 124.652 1.12 . . . . 0.0 113.843 178.588 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -132.33 16.9 4.49 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 125.813 1.645 . . . . 0.0 113.906 -172.365 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.362 0 N-CA-C 115.544 0.978 . . . . 0.0 115.544 177.398 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.2 m . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 121.761 0.791 . . . . 0.0 111.859 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 t80 49.89 31.3 4.52 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.846 2.058 . . . . 0.0 114.811 -173.504 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 55.32 26.81 9.06 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.994 2.118 . . . . 0.0 115.788 172.221 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.2 m -56.6 -35.78 46.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 -178.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.7 -49.08 64.54 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.475 0.71 . . . . 0.0 111.909 175.59 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.1 tt -56.65 -42.95 79.78 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.124 0.97 . . . . 0.0 110.609 175.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.5 m -63.34 -24.06 67.69 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.006 1.322 . . . . 0.0 113.653 178.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -121.42 -62.45 1.42 Allowed 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 -170.083 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.1 m . . . . . 0 N--CA 1.482 1.159 0 CA-C-N 119.377 0.989 . . . . 0.0 113.587 179.988 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.7 m . . . . . 0 N--CA 1.483 1.213 0 N-CA-C 115.977 1.843 . . . . 0.0 115.977 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 53.49 35.09 19.83 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.987 1.715 . . . . 0.0 114.392 -176.108 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.6 p -48.17 -30.63 2.72 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 125.901 1.68 . . . . 0.0 115.028 -176.21 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.03 -27.65 46.14 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.938 1.295 . . . . 0.0 114.423 175.247 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.1 tp -60.45 -50.93 71.61 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.478 1.111 . . . . 0.0 112.016 174.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -72.42 -32.53 66.42 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 123.889 0.875 . . . . 0.0 111.729 -178.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.17 -51.46 66.3 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.587 0.755 . . . . 0.0 111.808 171.209 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -56.29 -36.72 68.94 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 121.093 -1.004 . . . . 0.0 111.883 173.079 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.28 -0.81 1.89 Allowed Glycine 0 CA--C 1.537 1.459 0 C-N-CA 126.059 1.79 . . . . 0.0 117.229 173.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 N--CA 1.475 0.789 0 CA-C-N 119.332 1.566 . . . . 0.0 114.75 170.124 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.471 0.579 0 CA-C-O 118.988 -0.53 . . . . 0.0 112.271 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.263 0.0 OUTLIER 41.91 33.59 0.36 Allowed 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 127.188 2.195 . . . . 0.0 115.312 -179.81 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.4 tp . . . . . 0 CA--C 1.544 0.713 0 C-N-CA 126.061 1.744 . . . . 0.0 114.1 -171.536 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.152 0 N-CA-C 116.303 1.281 . . . . 0.0 116.303 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.48 -15.39 63.53 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-N 118.667 1.234 . . . . 0.0 113.958 175.392 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.0 m -139.24 3.86 2.19 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 -168.737 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 174.55 -173.95 46.32 Favored Glycine 0 CA--C 1.541 1.673 0 N-CA-C 116.404 1.322 . . . . 0.0 116.404 -177.005 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -44.6 127.35 7.75 Favored 'Trans proline' 0 C--N 1.353 0.776 1 C-N-CA 126.127 4.551 . . . . 0.0 115.411 -179.378 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -155.36 -1.58 0.15 Allowed 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 115.292 1.59 . . . . 0.0 115.292 -177.763 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -95.97 15.02 21.69 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 125.172 1.389 . . . . 0.0 114.194 -166.218 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -137.92 164.77 28.16 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.343 1.857 . . . . 0.0 111.231 -178.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -138.62 163.2 32.69 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.78 1.632 . . . . 0.0 110.234 175.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.1 m -64.35 142.96 58.23 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.913 0.885 . . . . 0.0 112.849 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -138.47 174.31 10.68 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 126.812 2.045 . . . . 0.0 111.302 -177.398 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -167.22 177.99 41.56 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 124.586 1.089 . . . . 0.0 113.832 177.367 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -130.16 11.22 5.46 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 125.91 1.684 . . . . 0.0 114.12 -174.389 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.477 0 N-CA-C 115.48 0.952 . . . . 0.0 115.48 178.405 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 33.8 m . . . . . 0 N--CA 1.488 1.441 0 CA-C-O 121.378 0.609 . . . . 0.0 112.297 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.3 t80 45.33 34.26 1.46 Allowed 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 127.187 2.195 . . . . 0.0 114.768 -171.425 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 58.17 16.68 4.05 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 127.327 2.251 . . . . 0.0 116.244 172.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.4 m -55.18 -36.39 39.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 N-CA-C 114.236 1.198 . . . . 0.0 114.236 -173.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.47 -44.57 70.92 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.597 0.759 . . . . 0.0 112.242 175.401 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 tt -58.76 -44.13 90.5 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.155 0.982 . . . . 0.0 110.756 177.277 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.7 m -66.69 -15.19 63.33 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.092 1.357 . . . . 0.0 113.973 177.154 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -125.14 -68.87 0.82 Allowed 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.074 1.138 . . . . 0.0 114.074 -171.477 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.4 m . . . . . 0 N--CA 1.482 1.145 0 CA-C-N 119.557 1.071 . . . . 0.0 113.73 179.934 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 29.8 m . . . . . 0 N--CA 1.482 1.145 0 N-CA-C 116.137 1.903 . . . . 0.0 116.137 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 57.01 31.8 20.55 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.834 1.653 . . . . 0.0 114.256 -175.522 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.0 p -48.96 -32.48 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 125.26 1.424 . . . . 0.0 114.075 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.48 -32.37 66.9 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 175.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 67.4 tp -65.58 -50.44 65.1 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.899 0.88 . . . . 0.0 111.173 175.541 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -69.95 -33.34 71.99 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.102 0.961 . . . . 0.0 112.206 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.14 -50.76 69.17 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.138 0.975 . . . . 0.0 111.731 169.732 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -56.54 -37.17 70.14 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.649 1.113 . . . . 0.0 111.846 173.508 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.75 1.98 2.15 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 125.798 1.666 . . . . 0.0 117.087 174.528 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.6 pp . . . . . 0 CA--C 1.543 0.682 0 CA-C-N 119.189 1.494 . . . . 0.0 114.285 169.085 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.468 0.449 0 CA-C-O 118.618 -0.706 . . . . 0.0 112.428 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.258 0.0 OUTLIER 40.82 35.02 0.3 Allowed 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 127.234 2.214 . . . . 0.0 114.935 -179.869 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.2 tp . . . . . 0 CA--C 1.546 0.804 0 C-N-CA 125.572 1.549 . . . . 0.0 113.957 -167.216 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.275 0 N-CA-C 116.512 1.365 . . . . 0.0 116.512 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.05 -16.15 63.1 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 118.942 1.371 . . . . 0.0 114.08 175.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.8 m -140.59 10.75 2.27 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.885 1.274 . . . . 0.0 114.266 -169.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -178.76 178.97 48.88 Favored Glycine 0 CA--C 1.539 1.543 0 N-CA-C 115.506 0.962 . . . . 0.0 115.506 -176.696 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -63.4 141.31 80.69 Favored 'Trans proline' 0 CA--C 1.538 0.699 0 C-N-CA 124.183 3.256 . . . . 0.0 112.267 -178.046 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -157.04 7.09 0.16 Allowed 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 -168.254 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -104.45 9.11 35.74 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 114.804 1.409 . . . . 0.0 114.804 -164.204 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -137.57 168.21 20.12 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 126.285 1.834 . . . . 0.0 111.029 -176.263 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -141.85 158.55 43.66 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.222 1.409 . . . . 0.0 111.474 176.465 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 27.1 m -56.5 145.58 27.45 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.831 1.253 . . . . 0.0 113.218 175.629 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -139.14 174.6 10.34 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 126.498 1.919 . . . . 0.0 111.495 178.231 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -164.16 175.14 40.29 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 124.783 1.182 . . . . 0.0 113.496 177.028 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -130.99 4.93 4.5 Favored 'General case' 0 N--CA 1.483 1.225 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 -171.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.467 0 N-CA-C 116.476 1.35 . . . . 0.0 116.476 -179.98 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.8 m . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 121.244 0.545 . . . . 0.0 111.913 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 18.7 t80 47.45 35.74 4.41 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 126.222 1.809 . . . . 0.0 114.02 -170.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 56.89 18.72 4.03 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 126.907 2.083 . . . . 0.0 115.998 172.096 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.8 m -52.26 -35.91 20.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 N-CA-C 115.232 1.567 . . . . 0.0 115.232 -170.126 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.05 -46.17 62.5 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.918 0.781 . . . . 0.0 112.306 175.047 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.5 tt -57.6 -45.94 84.68 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.514 1.125 . . . . 0.0 110.678 177.077 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.1 m -69.65 -6.91 34.59 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.063 1.345 . . . . 0.0 113.883 178.743 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -128.45 -71.32 0.65 Allowed 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 119.74 1.154 . . . . 0.0 113.837 -175.022 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 17.4 m . . . . . 0 N--CA 1.483 1.217 0 CA-C-N 119.565 1.075 . . . . 0.0 113.709 -179.564 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.2 m . . . . . 0 N--CA 1.481 1.12 0 N-CA-C 115.942 1.83 . . . . 0.0 115.942 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 55.51 37.05 28.36 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.59 1.556 . . . . 0.0 114.315 -176.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.9 p -45.22 -30.83 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 126.392 1.877 . . . . 0.0 114.906 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.9 -35.57 61.76 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.849 1.26 . . . . 0.0 114.33 175.065 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 51.4 tp -63.0 -50.45 70.69 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.097 0.959 . . . . 0.0 111.522 175.443 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -71.58 -28.38 63.79 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.067 0.947 . . . . 0.0 112.205 -176.386 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.41 -52.97 26.96 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.88 0.872 . . . . 0.0 112.139 166.595 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -55.47 -37.55 67.92 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 120.924 -1.11 . . . . 0.0 112.528 178.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.27 2.48 3.04 Favored Glycine 0 CA--C 1.539 1.574 0 N-CA-C 116.633 1.413 . . . . 0.0 116.633 176.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.8 pp . . . . . 0 CA--C 1.542 0.663 0 CA-C-N 118.91 1.355 . . . . 0.0 113.878 168.175 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 . . . . . 0 N--CA 1.469 0.477 0 CA-C-O 118.963 -0.541 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.263 0.0 OUTLIER 41.46 28.81 0.08 Allowed 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 126.563 1.945 . . . . 0.0 115.522 -174.252 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 34.7 tp . . . . . 0 CA--C 1.546 0.791 0 C-N-CA 126.693 1.997 . . . . 0.0 113.458 -174.895 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.27 0 N-CA-C 116.524 1.369 . . . . 0.0 116.524 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.11 -14.59 63.09 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-N 118.99 1.395 . . . . 0.0 113.991 175.208 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.5 m -140.44 12.71 2.35 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.149 1.38 . . . . 0.0 114.069 -171.08 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -176.48 176.8 47.94 Favored Glycine 0 CA--C 1.541 1.677 0 O-C-N 120.969 -1.082 . . . . 0.0 115.175 -178.653 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -59.78 144.79 99.38 Favored 'Trans proline' 0 CA--C 1.538 0.707 0 C-N-CA 123.365 2.71 . . . . 0.0 111.749 178.592 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -157.35 14.74 0.25 Allowed 'General case' 0 CA--C 1.551 1.004 0 N-CA-C 114.997 1.481 . . . . 0.0 114.997 -171.472 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -120.09 20.32 12.11 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 125.126 1.37 . . . . 0.0 114.268 -166.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -138.54 167.15 22.55 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 126.698 1.999 . . . . 0.0 110.565 175.044 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -142.06 155.62 45.39 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.472 1.509 . . . . 0.0 110.733 177.276 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.2 m -56.61 146.27 25.81 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.493 1.517 . . . . 0.0 114.076 -178.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -139.3 174.0 10.97 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 126.197 1.799 . . . . 0.0 112.459 -176.621 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.03 179.53 41.19 Favored Glycine 0 CA--C 1.539 1.556 0 C-N-CA 125.89 1.71 . . . . 0.0 112.686 175.019 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -129.43 11.85 5.88 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 125.281 1.432 . . . . 0.0 114.552 -174.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.461 0 N-CA-C 116.246 1.258 . . . . 0.0 116.246 178.591 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 31.7 m . . . . . 0 N--CA 1.489 1.48 0 CA-C-O 121.387 0.613 . . . . 0.0 111.87 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 47.9 32.64 2.86 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 126.256 1.822 . . . . 0.0 114.393 -171.545 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 56.72 21.33 5.81 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 127.141 2.176 . . . . 0.0 115.964 177.554 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 29.6 m -59.47 -32.96 49.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 O-C-N 120.751 -1.218 . . . . 0.0 113.179 178.476 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.74 -47.95 73.55 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.686 0.794 . . . . 0.0 111.951 174.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.0 tt -56.69 -44.34 81.38 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.944 0.898 . . . . 0.0 110.273 173.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.1 m -63.56 -21.77 66.53 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.114 1.366 . . . . 0.0 113.8 179.037 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -123.42 -65.23 1.1 Allowed 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 -170.602 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.9 m . . . . . 0 N--CA 1.483 1.22 0 CA-C-N 119.54 1.063 . . . . 0.0 113.683 -179.391 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.4 m . . . . . 0 N--CA 1.481 1.109 0 N-CA-C 115.663 1.727 . . . . 0.0 115.663 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 54.54 37.95 28.89 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.94 1.696 . . . . 0.0 114.354 -176.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.2 p -45.86 -33.07 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 C-N-CA 125.688 1.595 . . . . 0.0 114.804 -179.579 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.38 -29.31 63.96 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 114.337 1.236 . . . . 0.0 114.337 175.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.1 tp -61.97 -51.11 69.39 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.65 1.18 . . . . 0.0 111.355 174.5 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -70.34 -34.43 72.66 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.105 0.962 . . . . 0.0 111.959 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.75 -51.23 69.18 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.473 0.709 . . . . 0.0 111.74 171.155 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -57.1 -37.33 71.78 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.048 -1.033 . . . . 0.0 111.847 173.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.86 0.61 4.11 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 125.518 1.532 . . . . 0.0 116.91 175.606 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 pp . . . . . 0 CA--C 1.546 0.826 0 CA-C-N 119.273 1.536 . . . . 0.0 114.834 171.085 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.469 0.522 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.275 0.0 OUTLIER 40.84 34.41 0.27 Allowed 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 127.272 2.229 . . . . 0.0 115.372 -179.053 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 33.6 tp . . . . . 0 CA--C 1.544 0.737 0 C-N-CA 126.106 1.762 . . . . 0.0 113.997 -172.642 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.261 0 N-CA-C 117.152 1.621 . . . . 0.0 117.152 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.41 -21.42 64.68 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 119.085 1.442 . . . . 0.0 113.969 177.689 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.5 m -144.35 14.99 1.64 Allowed 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.811 1.244 . . . . 0.0 114.309 -169.573 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -171.62 176.3 44.85 Favored Glycine 0 CA--C 1.54 1.595 0 O-C-N 120.916 -1.115 . . . . 0.0 115.305 -176.349 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -64.59 135.04 43.69 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 123.897 3.065 . . . . 0.0 111.957 -175.302 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -155.44 11.09 0.32 Allowed 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 -174.487 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -110.16 17.98 20.43 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 125.295 1.438 . . . . 0.0 113.725 -167.313 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -136.31 165.28 26.14 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 126.967 2.107 . . . . 0.0 110.339 177.239 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -141.32 160.44 40.11 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.278 1.431 . . . . 0.0 110.418 175.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 67.6 m -63.98 143.94 57.48 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.281 1.032 . . . . 0.0 112.682 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 -135.16 173.88 11.23 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 126.52 1.928 . . . . 0.0 111.393 -176.58 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.34 178.17 43.19 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 124.427 1.013 . . . . 0.0 113.936 177.349 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -130.76 13.12 5.34 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.878 1.671 . . . . 0.0 113.853 -175.112 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.38 0 C-N-CA 124.111 0.862 . . . . 0.0 115.214 176.858 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.4 m . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 121.72 0.771 . . . . 0.0 111.723 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.1 t80 46.9 31.99 1.68 Allowed 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 127.128 2.171 . . . . 0.0 114.902 -171.017 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 55.34 24.69 6.77 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 126.893 2.077 . . . . 0.0 115.694 174.086 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 31.2 m -57.89 -38.06 64.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -177.123 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.95 -42.63 69.52 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.472 0.709 . . . . 0.0 112.186 176.639 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.9 tt -58.57 -44.01 89.61 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.134 0.974 . . . . 0.0 110.43 175.1 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.5 m -65.05 -19.03 65.79 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.184 1.394 . . . . 0.0 113.535 177.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -118.93 -72.62 0.68 Allowed 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.283 1.033 . . . . 0.0 113.403 -171.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.2 m . . . . . 0 N--CA 1.482 1.171 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 -178.246 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.0 m . . . . . 0 N--CA 1.48 1.073 0 N-CA-C 115.829 1.789 . . . . 0.0 115.829 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 54.17 36.89 26.01 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.771 1.629 . . . . 0.0 113.939 -175.594 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.0 p -45.11 -33.75 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 126.067 1.747 . . . . 0.0 114.663 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.45 -31.94 64.45 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 114.269 1.211 . . . . 0.0 114.269 176.516 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.9 tp -61.16 -52.75 63.54 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.344 1.057 . . . . 0.0 111.247 175.149 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -70.13 -36.36 74.72 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.599 1.159 . . . . 0.0 111.996 -178.774 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.9 -49.94 70.7 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.984 0.914 . . . . 0.0 111.998 173.476 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -58.09 -36.9 73.52 Favored 'General case' 0 N--CA 1.471 0.625 0 O-C-N 121.022 -1.049 . . . . 0.0 111.501 173.229 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.52 1.67 2.14 Favored Glycine 0 CA--C 1.539 1.533 0 C-N-CA 125.855 1.693 . . . . 0.0 116.987 174.368 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.8 pp . . . . . 0 N--CA 1.473 0.7 0 CA-C-N 119.349 1.574 . . . . 0.0 114.424 168.784 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.469 0.516 0 CA-C-O 118.976 -0.535 . . . . 0.0 112.173 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.267 0.0 OUTLIER 41.23 36.33 0.48 Allowed 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 127.554 2.342 . . . . 0.0 114.89 179.562 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 23.8 tp . . . . . 0 CA--C 1.545 0.759 0 C-N-CA 125.379 1.472 . . . . 0.0 114.448 -166.045 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.197 0 N-CA-C 117.053 1.581 . . . . 0.0 117.053 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.65 -22.88 66.1 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 119.012 1.406 . . . . 0.0 113.992 178.213 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.1 m -145.17 14.05 1.45 Allowed 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.894 1.277 . . . . 0.0 114.256 -170.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -170.57 177.67 43.59 Favored Glycine 0 CA--C 1.54 1.621 0 O-C-N 120.822 -1.174 . . . . 0.0 115.752 -174.508 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -65.56 136.0 44.54 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 124.076 3.184 . . . . 0.0 112.5 -173.088 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -156.87 13.98 0.27 Allowed 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 -174.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -110.43 14.84 22.48 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 -163.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -136.94 167.04 22.24 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.414 1.886 . . . . 0.0 110.887 178.708 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -142.03 161.94 36.72 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.641 1.576 . . . . 0.0 110.471 174.066 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.4 m -58.91 145.83 39.91 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.604 1.162 . . . . 0.0 112.979 176.24 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -135.5 175.2 9.81 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 126.305 1.842 . . . . 0.0 111.938 -176.642 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -164.41 176.53 40.3 Favored Glycine 0 CA--C 1.537 1.446 0 C-N-CA 125.113 1.339 . . . . 0.0 113.847 178.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -133.5 9.68 4.0 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 125.509 1.524 . . . . 0.0 114.848 -171.424 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.566 0 N-CA-C 116.566 1.387 . . . . 0.0 116.566 -179.193 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.9 m . . . . . 0 N--CA 1.488 1.465 0 CA-C-O 121.403 0.62 . . . . 0.0 112.029 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER 44.78 33.17 0.92 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 127.357 2.263 . . . . 0.0 115.121 -171.397 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 58.19 19.63 6.34 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.958 2.103 . . . . 0.0 115.612 172.512 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 33.8 m -59.55 -35.31 58.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 O-C-N 121.128 -0.982 . . . . 0.0 113.601 -175.267 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.92 -48.76 65.06 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.467 0.707 . . . . 0.0 111.736 175.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.3 tt -56.33 -43.12 78.7 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.043 0.937 . . . . 0.0 110.482 174.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 35.9 m -63.53 -22.79 67.09 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.169 1.388 . . . . 0.0 113.758 178.259 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -122.31 -63.93 1.24 Allowed 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 -169.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.5 m . . . . . 0 N--CA 1.483 1.206 0 CA-C-N 119.445 1.02 . . . . 0.0 113.478 178.955 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.8 m . . . . . 0 N--CA 1.482 1.163 0 N-CA-C 115.896 1.813 . . . . 0.0 115.896 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 56.8 34.93 25.51 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.281 1.833 . . . . 0.0 114.61 -177.761 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.2 p -44.75 -34.81 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 C-N-CA 125.776 1.63 . . . . 0.0 114.903 -179.132 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.95 -34.25 69.72 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 177.116 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.5 tp -63.32 -46.33 87.17 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.08 0.952 . . . . 0.0 111.545 175.384 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -75.22 -32.76 61.25 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.049 0.94 . . . . 0.0 112.159 -177.561 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.63 -51.52 66.95 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.773 0.829 . . . . 0.0 111.444 167.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -58.1 -36.13 72.44 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.081 -1.012 . . . . 0.0 111.968 174.301 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.51 -0.9 2.94 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 126.302 1.906 . . . . 0.0 116.867 174.425 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.6 pp . . . . . 0 CA--C 1.542 0.66 0 CA-C-N 119.163 1.482 . . . . 0.0 114.277 169.775 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.469 0.523 0 CA-C-O 118.817 -0.611 . . . . 0.0 112.559 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.257 0.0 OUTLIER 40.82 36.83 0.44 Allowed 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 127.473 2.309 . . . . 0.0 114.93 178.228 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.4 tp . . . . . 0 CA--C 1.543 0.694 0 C-N-CA 125.271 1.429 . . . . 0.0 114.412 -164.765 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.207 0 N-CA-C 116.843 1.497 . . . . 0.0 116.843 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.31 -24.41 67.27 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 119.077 1.438 . . . . 0.0 113.829 177.516 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.0 m -145.1 16.69 1.55 Allowed 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.058 1.343 . . . . 0.0 113.932 -172.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -170.38 175.68 44.22 Favored Glycine 0 CA--C 1.542 1.732 0 N-CA-C 116.181 1.232 . . . . 0.0 116.181 -175.119 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -65.9 135.07 39.69 Favored 'Trans proline' 0 CA--C 1.54 0.791 0 C-N-CA 124.424 3.416 . . . . 0.0 112.698 -174.333 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -154.33 4.56 0.26 Allowed 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 115.691 1.737 . . . . 0.0 115.691 -170.441 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -106.66 14.79 26.5 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.875 1.27 . . . . 0.0 114.381 -167.779 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -135.59 162.06 33.77 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 126.113 1.765 . . . . 0.0 111.537 -176.729 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -144.56 152.88 41.19 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.71 1.604 . . . . 0.0 110.889 175.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.8 m -55.05 148.65 13.35 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 126.371 1.868 . . . . 0.0 115.091 -176.521 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -138.02 176.37 8.76 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 127.028 2.131 . . . . 0.0 111.56 -178.275 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.36 -178.09 39.87 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 124.471 1.034 . . . . 0.0 114.148 179.046 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 -126.74 4.2 6.7 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 125.708 1.603 . . . . 0.0 114.955 -174.594 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.571 0 N-CA-C 116.215 1.246 . . . . 0.0 116.215 -179.626 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.7 m . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 121.783 0.801 . . . . 0.0 111.249 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.2 t80 38.87 37.13 0.18 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 128.447 2.699 . . . . 0.0 115.268 -167.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 57.72 18.28 4.69 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 126.645 1.978 . . . . 0.0 115.427 172.216 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 31.3 m -61.4 -36.56 73.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 O-C-N 121.014 -1.054 . . . . 0.0 113.389 -173.551 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.94 -45.75 69.96 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.582 0.753 . . . . 0.0 111.868 175.357 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.5 tt -56.12 -43.74 78.45 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.459 1.104 . . . . 0.0 110.538 174.455 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.8 m -66.14 -22.76 66.39 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.007 1.323 . . . . 0.0 113.709 178.561 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -119.66 -66.17 1.09 Allowed 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 -169.498 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.3 m . . . . . 0 N--CA 1.482 1.167 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 179.248 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.2 m . . . . . 0 N--CA 1.483 1.188 0 N-CA-C 116.146 1.906 . . . . 0.0 116.146 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 54.21 37.4 27.15 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.949 1.7 . . . . 0.0 114.423 -175.561 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.8 p -44.9 -35.36 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.215 0 C-N-CA 126.214 1.806 . . . . 0.0 114.804 -178.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.96 -26.78 64.74 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 114.578 1.325 . . . . 0.0 114.578 177.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.4 tp -64.98 -46.34 81.87 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.05 0.94 . . . . 0.0 111.851 176.362 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -70.71 -33.87 71.32 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.642 0.777 . . . . 0.0 111.627 178.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.88 -50.1 72.23 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.361 0.664 . . . . 0.0 111.807 170.142 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -55.59 -38.89 70.0 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 121.142 -0.974 . . . . 0.0 111.941 173.372 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.49 2.7 3.1 Favored Glycine 0 CA--C 1.536 1.398 0 N-CA-C 117.021 1.568 . . . . 0.0 117.021 176.34 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.6 pp . . . . . 0 CA--C 1.542 0.654 0 CA-C-N 119.088 1.444 . . . . 0.0 114.452 169.634 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.468 0.443 0 CA-C-O 119.081 -0.485 . . . . 0.0 112.092 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.273 0.0 OUTLIER 40.03 35.91 0.27 Allowed 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 127.496 2.318 . . . . 0.0 115.063 -179.459 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.3 tp . . . . . 0 CA--C 1.544 0.713 0 C-N-CA 125.883 1.673 . . . . 0.0 113.938 -170.74 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.219 0 N-CA-C 117.248 1.659 . . . . 0.0 117.248 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.2 -20.5 65.72 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-N 119.138 1.469 . . . . 0.0 113.911 177.26 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.0 m -143.01 16.13 1.92 Allowed 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.873 1.269 . . . . 0.0 114.004 -171.674 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -171.85 172.22 44.56 Favored Glycine 0 CA--C 1.541 1.7 0 O-C-N 120.914 -1.116 . . . . 0.0 115.467 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -56.3 138.01 82.03 Favored 'Trans proline' 0 CA--C 1.539 0.75 0 C-N-CA 124.318 3.345 . . . . 0.0 112.934 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -157.57 12.43 0.21 Allowed 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 115.246 1.573 . . . . 0.0 115.246 -171.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -116.17 16.98 15.89 Favored 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 114.81 1.411 . . . . 0.0 114.81 -163.152 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -136.6 170.55 15.88 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 126.058 1.743 . . . . 0.0 110.778 174.579 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -143.14 152.88 42.29 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.264 1.426 . . . . 0.0 110.693 175.477 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 41.9 m -53.33 146.6 11.87 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.678 1.591 . . . . 0.0 114.88 -177.591 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.3 mmt180 -138.19 176.89 8.3 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 126.845 2.058 . . . . 0.0 111.49 -178.399 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -164.55 178.21 39.86 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 124.697 1.141 . . . . 0.0 113.778 177.706 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -131.04 14.29 5.21 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 125.753 1.621 . . . . 0.0 114.108 -173.396 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.494 0 N-CA-C 115.404 0.922 . . . . 0.0 115.404 177.291 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 26.8 m . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 121.827 0.822 . . . . 0.0 111.374 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 8.9 t80 41.38 39.47 1.03 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 127.878 2.471 . . . . 0.0 115.002 -169.465 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 59.21 19.55 7.6 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.259 1.824 . . . . 0.0 115.759 167.117 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.5 m -57.61 -36.72 55.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -174.193 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.1 -48.59 42.8 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.471 0.708 . . . . 0.0 111.94 174.132 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.4 tt -55.85 -40.59 73.11 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.638 1.175 . . . . 0.0 111.243 178.674 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.4 m -69.83 -14.6 62.83 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.227 1.411 . . . . 0.0 113.626 178.558 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -125.61 -57.28 1.46 Allowed 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 -169.396 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.3 m . . . . . 0 N--CA 1.482 1.149 0 CA-C-N 119.356 0.98 . . . . 0.0 113.323 176.801 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 30.8 m . . . . . 0 N--CA 1.483 1.225 0 N-CA-C 115.918 1.822 . . . . 0.0 115.918 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 55.16 39.01 31.31 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.811 1.644 . . . . 0.0 114.56 -177.496 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.4 p -44.57 -32.17 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 C-N-CA 126.4 1.88 . . . . 0.0 114.822 177.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.3 -35.25 62.43 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.689 1.196 . . . . 0.0 114.075 175.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.6 tp -62.27 -49.53 75.32 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.95 0.9 . . . . 0.0 111.592 175.262 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -72.15 -32.07 66.56 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.913 0.885 . . . . 0.0 112.134 -176.47 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.98 -53.81 40.33 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.705 0.802 . . . . 0.0 111.803 168.421 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -56.59 -37.35 70.5 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 121.245 -0.909 . . . . 0.0 112.252 176.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.8 1.38 3.37 Favored Glycine 0 CA--C 1.539 1.536 0 C-N-CA 126.003 1.763 . . . . 0.0 116.785 177.184 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 pp . . . . . 0 CA--C 1.543 0.675 0 CA-C-N 118.822 1.311 . . . . 0.0 114.076 167.927 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.47 0.567 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.273 0.0 OUTLIER 41.1 35.83 0.41 Allowed 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 127.818 2.447 . . . . 0.0 115.468 176.485 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 37.9 tp . . . . . 0 CA--C 1.544 0.749 0 C-N-CA 125.819 1.648 . . . . 0.0 114.407 -170.609 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.183 0 N-CA-C 117.027 1.571 . . . . 0.0 117.027 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.44 -12.98 62.11 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 118.986 1.393 . . . . 0.0 113.973 174.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.8 m -139.49 5.83 2.26 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 -169.185 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 178.66 179.75 48.56 Favored Glycine 0 CA--C 1.541 1.668 0 N-CA-C 116.106 1.202 . . . . 0.0 116.106 -179.065 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -51.53 131.79 38.2 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 124.934 3.756 . . . . 0.0 113.759 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -156.41 6.73 0.19 Allowed 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 115.043 1.497 . . . . 0.0 115.043 -175.59 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -112.71 21.66 15.33 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 125.133 1.373 . . . . 0.0 113.721 -167.458 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -136.13 164.67 27.51 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 126.728 2.011 . . . . 0.0 110.17 173.172 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -141.89 158.32 43.92 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.451 1.501 . . . . 0.0 110.509 175.609 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.4 m -56.46 148.34 19.53 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.953 1.301 . . . . 0.0 114.403 -177.381 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -138.2 170.99 15.07 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 126.345 1.858 . . . . 0.0 112.212 -177.659 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.48 179.58 40.36 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 125.692 1.615 . . . . 0.0 112.857 178.502 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -132.74 23.61 4.3 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 125.391 1.477 . . . . 0.0 113.707 -171.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.401 0 N-CA-C 115.711 1.044 . . . . 0.0 115.711 177.78 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.7 m . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 121.722 0.772 . . . . 0.0 111.662 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.3 t80 42.69 41.13 2.3 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 127.55 2.34 . . . . 0.0 115.127 -171.109 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 59.61 22.86 11.57 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 115.492 1.664 . . . . 0.0 115.492 163.045 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 20.5 m -54.87 -26.12 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 N-CA-C 115.418 1.636 . . . . 0.0 115.418 -172.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -88.53 -46.46 9.08 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.664 0.786 . . . . 0.0 112.553 171.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 tt -57.9 -45.15 86.89 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.444 1.098 . . . . 0.0 111.473 -178.543 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.1 m -71.19 -10.41 59.71 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.014 1.326 . . . . 0.0 113.498 178.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -124.3 -74.4 0.61 Allowed 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.029 -1.044 . . . . 0.0 113.256 -171.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 18.4 m . . . . . 0 N--CA 1.481 1.088 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 179.874 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.6 m . . . . . 0 N--CA 1.483 1.2 0 N-CA-C 115.816 1.784 . . . . 0.0 115.816 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 55.12 38.04 29.85 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.99 1.716 . . . . 0.0 114.262 -176.429 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.6 p -47.48 -30.81 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 125.748 1.619 . . . . 0.0 114.985 -177.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.2 -28.56 53.9 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.905 1.282 . . . . 0.0 114.26 174.438 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 67.6 tp -61.37 -45.88 92.52 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.434 1.093 . . . . 0.0 112.113 174.548 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -74.62 -31.7 62.08 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 123.483 0.713 . . . . 0.0 111.972 -178.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.78 -51.76 65.84 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.236 0.615 . . . . 0.0 111.478 168.119 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -56.78 -38.24 72.23 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.037 -1.04 . . . . 0.0 111.99 173.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.59 2.42 3.44 Favored Glycine 0 CA--C 1.538 1.479 0 C-N-CA 125.75 1.643 . . . . 0.0 116.854 176.536 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 CA--C 1.542 0.642 0 CA-C-N 118.957 1.379 . . . . 0.0 114.305 170.057 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.469 0.525 0 CA-C-O 119.371 -0.347 . . . . 0.0 111.522 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.27 0.0 OUTLIER 41.99 31.78 0.25 Allowed 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 127.746 2.418 . . . . 0.0 115.506 -179.757 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.3 tp . . . . . 0 CA--C 1.543 0.691 0 C-N-CA 126.312 1.845 . . . . 0.0 114.233 -171.39 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.207 0 N-CA-C 116.174 1.23 . . . . 0.0 116.174 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.68 -24.52 67.6 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 118.636 1.218 . . . . 0.0 113.897 178.412 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.2 m -145.23 13.22 1.41 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.821 1.248 . . . . 0.0 114.215 -171.382 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -171.35 179.07 43.37 Favored Glycine 0 CA--C 1.54 1.607 0 N-CA-C 116.457 1.343 . . . . 0.0 116.457 -172.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -64.47 135.97 48.43 Favored 'Trans proline' 0 CA--C 1.537 0.646 0 C-N-CA 124.483 3.455 . . . . 0.0 112.594 -173.493 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -156.87 11.36 0.23 Allowed 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 -174.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -119.37 27.65 8.67 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 125.297 1.439 . . . . 0.0 113.711 -166.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 57.4 mttp -138.22 164.02 30.25 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 127.306 2.242 . . . . 0.0 109.88 174.12 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -143.09 151.9 41.25 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.093 1.357 . . . . 0.0 110.23 174.179 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.8 m -55.56 147.04 18.84 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 125.504 1.522 . . . . 0.0 114.493 -177.037 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 -138.5 173.16 11.89 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 126.062 1.745 . . . . 0.0 112.756 -175.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -164.61 179.51 39.3 Favored Glycine 0 CA--C 1.538 1.52 0 C-N-CA 126.22 1.867 . . . . 0.0 112.514 176.077 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -129.23 8.08 5.51 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 114.997 1.48 . . . . 0.0 114.997 -171.789 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.405 0 N-CA-C 116.078 1.191 . . . . 0.0 116.078 177.835 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.0 m . . . . . 0 N--CA 1.487 1.39 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 26.3 t80 48.09 36.14 6.1 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 126.19 1.796 . . . . 0.0 114.257 -169.314 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 54.29 30.67 12.87 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 126.14 1.776 . . . . 0.0 115.683 167.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 24.0 m -58.33 -5.2 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.225 0 N-CA-C 116.519 2.044 . . . . 0.0 116.519 -177.288 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -118.43 -35.63 3.72 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.84 1.256 . . . . 0.0 113.422 171.158 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.9 tt -67.88 -48.1 67.01 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.293 1.037 . . . . 0.0 111.027 176.612 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 38.1 m -69.44 -24.34 63.8 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 121.085 -1.009 . . . . 0.0 112.772 176.687 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -104.71 -69.88 0.79 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.838 0.855 . . . . 0.0 113.253 -171.218 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.481 1.116 0 O-C-N 121.185 -0.947 . . . . 0.0 112.082 -174.529 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.7 m . . . . . 0 N--CA 1.481 1.105 0 N-CA-C 115.505 1.668 . . . . 0.0 115.505 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 56.95 43.17 25.11 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.668 1.587 . . . . 0.0 113.932 -177.305 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.8 p -43.32 -32.57 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 126.03 1.732 . . . . 0.0 114.139 173.253 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.18 -34.71 64.08 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.83 1.252 . . . . 0.0 114.23 175.172 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.1 tp -65.84 -49.09 69.43 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.704 1.138 . . . . 0.0 111.572 176.701 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -66.39 -37.55 85.51 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.034 0.934 . . . . 0.0 111.867 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.68 -53.06 53.39 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.967 0.907 . . . . 0.0 112.09 172.196 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -56.28 -35.86 67.96 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.078 -1.014 . . . . 0.0 112.242 176.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.63 -0.78 2.96 Favored Glycine 0 CA--C 1.538 1.471 0 N-CA-C 117.084 1.594 . . . . 0.0 117.084 174.615 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 pp . . . . . 0 N--CA 1.472 0.631 0 CA-C-N 119.042 1.421 . . . . 0.0 114.355 168.292 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 . . . . . 0 N--CA 1.472 0.644 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.282 0.0 OUTLIER 41.5 32.89 0.25 Allowed 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 127.404 2.281 . . . . 0.0 115.458 -175.76 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 35.5 tp . . . . . 0 CA--C 1.545 0.781 0 C-N-CA 125.955 1.702 . . . . 0.0 113.686 -175.53 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.295 0 N-CA-C 117.295 1.678 . . . . 0.0 117.295 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.41 -15.82 63.61 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 119.1 1.45 . . . . 0.0 114.403 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.0 m -147.27 22.96 1.18 Allowed 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.534 1.534 . . . . 0.0 113.384 -178.186 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -172.09 172.18 44.62 Favored Glycine 0 CA--C 1.539 1.59 0 O-C-N 120.879 -1.138 . . . . 0.0 115.228 179.065 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -53.83 139.87 68.43 Favored 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 124.307 3.338 . . . . 0.0 113.276 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -157.2 11.69 0.22 Allowed 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 114.467 1.284 . . . . 0.0 114.467 -174.224 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -122.25 21.32 10.41 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 125.622 1.569 . . . . 0.0 113.532 -166.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -133.96 166.59 22.34 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 127.192 2.197 . . . . 0.0 110.313 173.648 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -141.81 162.52 35.28 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.822 1.249 . . . . 0.0 110.807 179.036 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 45.0 m -62.06 144.32 55.39 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.814 0.846 . . . . 0.0 112.403 173.449 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -138.47 172.71 12.49 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 126.447 1.899 . . . . 0.0 111.215 -179.456 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -165.33 177.63 40.61 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 124.628 1.109 . . . . 0.0 113.705 179.232 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -131.45 11.48 4.91 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 125.499 1.52 . . . . 0.0 114.134 -171.435 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.638 0 N-CA-C 115.48 0.952 . . . . 0.0 115.48 178.601 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 13.3 m . . . . . 0 N--CA 1.493 1.686 0 N-CA-C 111.501 0.186 . . . . 0.0 111.501 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.6 m -133.25 18.98 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 C-N-CA 125.565 1.546 . . . . 0.0 112.269 175.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 11.7 t80 44.53 36.32 1.66 Allowed 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 126.527 1.931 . . . . 0.0 114.144 -167.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 56.27 20.46 4.61 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 127.129 2.172 . . . . 0.0 116.17 173.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.1 m -52.73 -36.51 23.14 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 N-CA-C 114.622 1.341 . . . . 0.0 114.622 -174.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.68 -47.07 56.68 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.313 0.645 . . . . 0.0 112.17 174.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 tt -58.26 -43.54 87.93 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.427 1.091 . . . . 0.0 111.185 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.4 m -65.47 -16.88 64.1 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.724 1.209 . . . . 0.0 113.843 177.03 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -120.16 -68.91 0.88 Allowed 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.225 1.01 . . . . 0.0 113.574 -171.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 16.7 m -76.03 -9.0 12.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.4 m 40.89 37.59 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 127.588 2.355 . . . . 0.0 116.21 172.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 56.27 30.89 17.5 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 126.005 1.722 . . . . 0.0 114.832 -177.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.9 p -50.65 -25.17 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 126.13 1.772 . . . . 0.0 115.188 -178.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.91 -30.08 44.75 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.53 1.132 . . . . 0.0 113.938 173.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.9 tp -62.29 -46.96 86.42 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.993 0.917 . . . . 0.0 112.029 173.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -70.72 -34.1 71.55 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.707 0.803 . . . . 0.0 111.923 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.04 -51.71 66.9 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.398 0.679 . . . . 0.0 111.686 170.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -57.15 -38.29 73.32 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.174 -0.954 . . . . 0.0 112.042 174.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.24 -0.55 4.59 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 125.78 1.657 . . . . 0.0 116.744 176.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.6 pp -138.9 -28.31 0.8 Allowed 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.184 1.492 . . . . 0.0 114.3 170.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -136.45 -48.75 0.65 Allowed 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.261 1.024 . . . . 0.0 112.519 -177.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.271 0.0 OUTLIER 41.37 34.72 0.37 Allowed 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 127.741 2.416 . . . . 0.0 115.977 175.496 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.2 tp -67.7 -31.15 70.91 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.76 1.624 . . . . 0.0 114.494 -171.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -151.52 13.76 0.8 Allowed Glycine 0 CA--C 1.531 1.069 0 N-CA-C 116.898 1.519 . . . . 0.0 116.898 -165.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.72 -30.32 71.33 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 118.895 1.348 . . . . 0.0 113.575 178.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.3 m -145.74 19.15 1.48 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.119 1.368 . . . . 0.0 113.758 -172.295 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -165.25 174.16 41.09 Favored Glycine 0 CA--C 1.541 1.677 0 N-CA-C 116.091 1.197 . . . . 0.0 116.091 -174.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -67.82 132.0 25.56 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 124.164 3.243 . . . . 0.0 112.297 -172.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -155.88 11.25 0.29 Allowed 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 -173.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.9 mmtt -114.62 25.42 11.02 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 125.028 1.331 . . . . 0.0 113.859 -167.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -137.25 164.27 28.93 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 126.337 1.855 . . . . 0.0 110.347 176.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -143.1 159.93 41.35 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.004 1.322 . . . . 0.0 111.367 175.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.5 m -59.56 150.27 27.61 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.33 1.452 . . . . 0.0 114.228 -176.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -139.29 170.39 16.03 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 126.674 1.99 . . . . 0.0 111.824 -177.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -173.81 174.87 46.39 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 124.767 1.175 . . . . 0.0 113.731 176.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -133.72 9.46 3.92 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 125.653 1.581 . . . . 0.0 114.353 -174.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -160.34 25.5 0.29 Allowed Glycine 0 CA--C 1.536 1.405 0 C-N-CA 124.38 0.991 . . . . 0.0 114.953 -175.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 O-C-N 120.692 -1.475 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 18.6 m . . . . . 0 N--CA 1.493 1.689 0 CA-C-O 120.416 0.15 . . . . 0.0 111.391 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.2 m -132.62 25.76 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 C-N-CA 125.788 1.635 . . . . 0.0 111.961 178.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 3.5 t80 48.81 28.71 1.99 Allowed 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.671 1.988 . . . . 0.0 114.65 -172.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 54.87 21.23 3.51 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 127.355 2.262 . . . . 0.0 115.736 176.211 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 29.6 m -52.94 -37.26 25.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 -169.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.59 -45.55 65.11 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 118.73 0.695 . . . . 0.0 112.192 175.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.9 tt -59.59 -43.29 93.74 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.42 1.088 . . . . 0.0 110.753 177.118 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.4 m -63.33 -17.93 63.09 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.672 1.189 . . . . 0.0 113.768 175.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -115.48 -69.89 0.83 Allowed 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.456 1.103 . . . . 0.0 113.476 -172.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 15.4 m -77.04 -11.31 13.65 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 -178.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.0 m 39.26 39.82 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 C-N-CA 127.496 2.318 . . . . 0.0 115.785 176.28 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 55.85 31.19 17.22 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 126.109 1.764 . . . . 0.0 114.856 -177.015 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.9 p -49.67 -29.51 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 C-N-CA 126.012 1.725 . . . . 0.0 115.558 -173.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.43 -27.06 45.54 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.434 1.094 . . . . 0.0 113.855 174.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.2 tp -61.1 -41.2 96.23 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.278 1.031 . . . . 0.0 112.491 173.097 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -76.14 -32.08 58.92 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 121.689 -0.632 . . . . 0.0 111.978 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.09 -49.92 72.57 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.241 0.616 . . . . 0.0 111.284 168.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -56.71 -40.65 76.02 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 121.276 -0.89 . . . . 0.0 111.814 171.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.74 3.66 3.63 Favored Glycine 0 CA--C 1.537 1.433 0 C-N-CA 126.012 1.768 . . . . 0.0 116.627 177.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.5 pp -139.49 -31.87 0.67 Allowed 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.068 1.434 . . . . 0.0 114.159 171.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -127.72 -51.22 1.36 Allowed 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 125.159 1.384 . . . . 0.0 111.337 179.517 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.278 0.0 OUTLIER 40.33 37.51 0.44 Allowed 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 127.502 2.321 . . . . 0.0 114.905 179.248 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 38.8 tp -71.36 -27.28 63.24 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 126.193 1.797 . . . . 0.0 114.491 -169.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -155.34 11.55 0.4 Allowed Glycine 0 CA--C 1.531 1.089 0 N-CA-C 117.711 1.844 . . . . 0.0 117.711 -161.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.6 -28.85 70.2 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 119.292 1.546 . . . . 0.0 113.58 177.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.4 m -145.47 19.34 1.53 Allowed 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.16 1.384 . . . . 0.0 113.737 -172.066 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -164.86 175.15 40.85 Favored Glycine 0 CA--C 1.54 1.613 0 O-C-N 120.846 -1.159 . . . . 0.0 115.657 -174.225 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -66.75 128.41 18.88 Favored 'Trans proline' 0 CA--C 1.537 0.667 0 C-N-CA 124.13 3.22 . . . . 0.0 112.497 -171.487 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -155.59 14.44 0.36 Allowed 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -175.189 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.7 mmtm -125.92 29.82 5.82 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 125.568 1.547 . . . . 0.0 113.09 -164.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -138.69 163.78 31.24 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 127.41 2.284 . . . . 0.0 109.123 172.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -142.2 161.14 38.77 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.589 1.155 . . . . 0.0 111.493 174.09 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.2 m -57.19 147.13 25.89 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.57 1.548 . . . . 0.0 114.121 -177.106 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -138.13 170.0 16.81 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 126.551 1.94 . . . . 0.0 111.622 -178.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -175.43 176.93 47.41 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 124.872 1.225 . . . . 0.0 113.704 176.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -131.62 9.23 4.63 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 125.678 1.591 . . . . 0.0 114.184 -175.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -161.52 24.12 0.23 Allowed Glycine 0 CA--C 1.536 1.398 0 C-N-CA 124.481 1.038 . . . . 0.0 114.948 -176.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 O-C-N 120.576 -1.544 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 11.1 m . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 111.722 0.268 . . . . 0.0 111.722 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 33.6 m -133.11 23.11 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 C-N-CA 126.137 1.775 . . . . 0.0 111.74 174.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 4.1 t80 48.33 30.15 2.19 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 126.801 2.041 . . . . 0.0 114.429 -170.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 56.46 15.71 2.15 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 127.939 2.495 . . . . 0.0 116.235 175.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 34.9 m -54.7 -34.08 29.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 N-CA-C 114.891 1.441 . . . . 0.0 114.891 -170.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.94 -50.03 46.03 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.086 0.554 . . . . 0.0 112.092 174.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.6 tt -56.27 -43.46 78.79 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.697 1.199 . . . . 0.0 110.649 176.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 48.1 m -62.73 -17.64 61.18 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.127 1.371 . . . . 0.0 114.203 177.014 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -123.15 -64.66 1.15 Allowed 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -172.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.9 m -76.6 -9.73 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 32.6 m 42.25 33.29 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.275 0 C-N-CA 128.186 2.594 . . . . 0.0 116.265 174.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 52.42 37.41 22.58 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.386 1.474 . . . . 0.0 113.822 -172.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.2 p -49.96 -29.01 4.86 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 125.401 1.48 . . . . 0.0 114.465 -176.169 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.25 -26.46 40.03 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.137 1.375 . . . . 0.0 113.78 173.082 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.2 tp -59.84 -48.15 82.85 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.127 1.371 . . . . 0.0 111.838 173.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -75.47 -32.07 60.48 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.858 0.863 . . . . 0.0 111.466 -178.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.94 -48.28 77.14 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.349 0.66 . . . . 0.0 111.769 169.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -59.32 -37.25 77.3 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 120.892 -1.13 . . . . 0.0 111.545 171.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.61 3.01 1.5 Allowed Glycine 0 CA--C 1.538 1.522 0 C-N-CA 126.126 1.822 . . . . 0.0 116.995 172.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 pp -139.84 -29.87 0.71 Allowed 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 118.837 1.319 . . . . 0.0 114.315 169.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -128.27 -46.15 1.36 Allowed 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.353 1.461 . . . . 0.0 112.007 176.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.274 0.0 OUTLIER 40.87 35.69 0.36 Allowed 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 127.181 2.192 . . . . 0.0 114.624 -179.471 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 37.5 tp -74.2 -25.3 59.6 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.82 1.648 . . . . 0.0 114.029 -164.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -140.65 13.91 2.93 Favored Glycine 0 N--CA 1.475 1.293 0 N-CA-C 115.359 0.904 . . . . 0.0 115.359 -169.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.55 -32.62 73.61 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 118.552 1.176 . . . . 0.0 113.608 178.067 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.1 m -146.49 13.47 1.21 Allowed 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 -171.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -166.58 178.12 41.13 Favored Glycine 0 CA--C 1.542 1.746 0 N-CA-C 116.542 1.377 . . . . 0.0 116.542 -170.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -66.68 134.18 34.33 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 124.66 3.574 . . . . 0.0 113.155 -171.304 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -156.61 17.7 0.32 Allowed 'General case' 0 CA--C 1.551 0.981 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 -172.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.1 mmtm -133.2 32.96 3.66 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 124.772 1.229 . . . . 0.0 113.556 -169.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -137.14 165.34 26.31 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 126.929 2.091 . . . . 0.0 109.377 165.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -144.17 164.52 30.46 Favored 'General case' 0 CA--C 1.56 1.357 0 C-N-CA 124.48 1.112 . . . . 0.0 112.05 176.072 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 60.9 m -57.16 151.12 16.08 Favored 'General case' 0 N--CA 1.517 2.916 0 C-N-CA 125.708 1.603 . . . . 0.0 111.967 178.266 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 62.1 mmt-85 -145.81 172.39 13.39 Favored 'General case' 0 N--CA 1.53 3.547 0 C-N-CA 125.735 1.614 . . . . 0.0 110.042 -178.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -167.66 173.86 42.69 Favored Glycine 0 CA--C 1.541 1.715 0 C-N-CA 125.342 1.449 . . . . 0.0 113.099 175.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -133.48 8.3 3.92 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 125.451 1.5 . . . . 0.0 114.708 -171.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -171.2 -5.53 0.03 OUTLIER Glycine 0 CA--C 1.538 1.479 0 N-CA-C 116.544 1.377 . . . . 0.0 116.544 -179.172 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.228 0 O-C-N 119.976 -1.896 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 13.6 m . . . . . 0 N--CA 1.493 1.681 0 N-CA-C 111.596 0.221 . . . . 0.0 111.596 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.2 m -134.04 26.69 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 C-N-CA 126.027 1.731 . . . . 0.0 112.015 179.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 19.8 t80 46.39 38.26 5.1 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.379 1.872 . . . . 0.0 114.059 -167.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 57.37 21.86 7.26 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.461 1.904 . . . . 0.0 116.124 167.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.3 m -52.78 -32.92 18.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 N-CA-C 114.556 1.317 . . . . 0.0 114.556 -175.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.5 -51.9 18.06 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.48 0.712 . . . . 0.0 112.183 172.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.1 tt -55.99 -43.57 77.77 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.775 1.23 . . . . 0.0 111.476 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 49.3 m -65.36 -17.52 64.59 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.82 1.248 . . . . 0.0 113.939 178.011 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -124.58 -62.52 1.25 Allowed 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 114.036 1.125 . . . . 0.0 114.036 -171.12 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.3 m -78.06 -10.64 13.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 CA-C-N 119.575 1.08 . . . . 0.0 113.555 178.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.8 m 42.15 33.47 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 C-N-CA 128.248 2.619 . . . . 0.0 116.403 172.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 53.02 33.96 15.99 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 125.355 1.462 . . . . 0.0 114.134 -174.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.8 p -51.55 -24.0 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 125.866 1.666 . . . . 0.0 115.082 -175.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.58 -27.01 15.03 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.189 1.396 . . . . 0.0 114.32 171.315 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 58.0 tp -55.87 -51.1 68.74 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.808 1.243 . . . . 0.0 112.098 171.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -74.64 -31.87 62.09 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.848 0.859 . . . . 0.0 111.824 -178.094 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.78 -52.03 65.89 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.399 0.68 . . . . 0.0 111.515 170.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -57.53 -39.84 77.49 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.168 -0.957 . . . . 0.0 111.714 173.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.49 1.55 3.0 Favored Glycine 0 CA--C 1.539 1.556 0 C-N-CA 125.8 1.667 . . . . 0.0 116.912 176.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.1 pp -140.0 -29.58 0.71 Allowed 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.207 1.504 . . . . 0.0 114.392 170.123 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -135.3 -52.03 0.77 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.282 1.033 . . . . 0.0 111.921 -178.315 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.268 0.0 OUTLIER 41.21 35.44 0.4 Allowed 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 127.687 2.395 . . . . 0.0 115.751 176.792 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 30.6 tp -64.83 -25.92 68.12 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.667 1.587 . . . . 0.0 114.455 -171.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -151.31 15.69 0.86 Allowed Glycine 0 CA--C 1.531 1.075 0 N-CA-C 116.948 1.539 . . . . 0.0 116.948 -166.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.93 -31.19 72.29 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 118.872 1.336 . . . . 0.0 113.825 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.7 m -146.18 17.92 1.38 Allowed 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 114.304 1.224 . . . . 0.0 114.304 -169.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -165.87 176.47 41.28 Favored Glycine 0 CA--C 1.54 1.643 0 O-C-N 120.793 -1.192 . . . . 0.0 115.471 -174.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -64.96 129.24 22.63 Favored 'Trans proline' 0 CA--C 1.538 0.689 0 C-N-CA 124.15 3.234 . . . . 0.0 112.171 -174.231 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -154.47 12.86 0.41 Allowed 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 115.333 1.605 . . . . 0.0 115.333 -170.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -130.66 34.75 4.08 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 125.325 1.45 . . . . 0.0 112.935 -172.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -134.85 161.64 34.64 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 126.807 2.043 . . . . 0.0 109.061 169.118 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -143.42 162.01 36.9 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.622 1.169 . . . . 0.0 110.902 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 38.0 m -58.43 141.72 50.68 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.348 1.059 . . . . 0.0 112.885 175.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -135.77 174.71 10.32 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 126.278 1.831 . . . . 0.0 111.539 -178.023 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -169.43 174.62 43.8 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 124.761 1.172 . . . . 0.0 113.584 174.312 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -131.11 11.07 5.01 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 125.566 1.546 . . . . 0.0 114.105 -175.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -162.84 22.51 0.19 Allowed Glycine 0 CA--C 1.537 1.463 0 C-N-CA 124.54 1.066 . . . . 0.0 115.002 -177.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 O-C-N 120.587 -1.537 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 13.4 m . . . . . 0 N--CA 1.493 1.693 0 N-CA-C 111.53 0.196 . . . . 0.0 111.53 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 26.9 m -133.14 22.83 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.425 0 C-N-CA 125.681 1.593 . . . . 0.0 112.287 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 13.0 t80 47.2 34.67 3.15 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 126.195 1.798 . . . . 0.0 114.046 -170.064 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 55.49 25.23 7.59 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.948 2.099 . . . . 0.0 115.828 172.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 18.2 m -51.91 -38.08 22.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 N-CA-C 114.398 1.258 . . . . 0.0 114.398 -177.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.57 -46.5 66.25 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.435 0.694 . . . . 0.0 112.186 175.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 tt -56.57 -44.67 81.23 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.667 1.187 . . . . 0.0 110.745 177.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.6 m -67.8 -17.13 64.42 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.97 1.308 . . . . 0.0 114.067 177.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -120.81 -68.81 0.88 Allowed 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 119.695 1.134 . . . . 0.0 113.809 -171.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 18.0 m -72.71 -12.73 15.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 CA-C-N 119.478 1.035 . . . . 0.0 113.591 178.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.8 m 41.69 36.6 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 C-N-CA 127.649 2.38 . . . . 0.0 116.319 172.018 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 56.59 31.03 18.38 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.037 1.735 . . . . 0.0 114.52 -176.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.5 p -51.45 -26.59 6.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 125.476 1.511 . . . . 0.0 114.781 -177.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.22 -29.01 57.12 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 114.09 1.144 . . . . 0.0 114.09 172.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.4 tp -64.83 -48.51 74.12 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.005 0.922 . . . . 0.0 111.89 173.132 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -69.62 -33.53 72.78 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.311 0.644 . . . . 0.0 112.088 177.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.33 -46.78 85.08 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.62 0.768 . . . . 0.0 112.0 170.273 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -58.27 -37.49 75.07 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 120.839 -1.163 . . . . 0.0 111.682 172.361 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.69 1.5 3.2 Favored Glycine 0 CA--C 1.539 1.556 0 C-N-CA 125.756 1.645 . . . . 0.0 116.698 173.315 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.1 pp -138.52 -26.73 0.88 Allowed 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 119.49 1.645 . . . . 0.0 114.548 171.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -137.51 -53.12 0.66 Allowed 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.65 1.18 . . . . 0.0 112.407 -178.506 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.286 0.0 OUTLIER 40.27 38.42 0.54 Allowed 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 127.357 2.263 . . . . 0.0 115.252 -177.924 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.2 tp -64.03 -31.98 73.37 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 126.048 1.739 . . . . 0.0 114.355 -173.001 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -150.94 2.19 0.43 Allowed Glycine 0 CA--C 1.532 1.111 0 N-CA-C 117.702 1.841 . . . . 0.0 117.702 -164.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.58 -23.21 67.19 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 119.473 1.637 . . . . 0.0 113.585 176.06 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.2 m -142.94 20.15 1.96 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.499 1.519 . . . . 0.0 113.592 -174.145 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -169.19 173.0 43.6 Favored Glycine 0 CA--C 1.542 1.771 0 O-C-N 120.905 -1.122 . . . . 0.0 115.882 -176.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -68.47 133.19 27.38 Favored 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 124.115 3.21 . . . . 0.0 112.17 -175.109 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -154.49 15.05 0.44 Allowed 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 -168.163 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.5 mmtm -129.22 31.25 4.89 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 125.012 1.325 . . . . 0.0 113.856 -168.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -136.14 164.61 27.65 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 126.076 1.75 . . . . 0.0 110.41 172.179 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -145.63 160.19 42.04 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.153 1.381 . . . . 0.0 111.049 177.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.9 m -63.41 148.22 49.1 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.25 1.02 . . . . 0.0 112.681 175.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -139.21 171.96 13.53 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 126.009 1.724 . . . . 0.0 112.518 -174.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -173.18 177.6 45.54 Favored Glycine 0 CA--C 1.538 1.527 0 C-N-CA 125.424 1.488 . . . . 0.0 113.427 175.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -131.95 9.47 4.53 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 125.781 1.633 . . . . 0.0 114.268 -175.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -140.82 21.32 2.68 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 124.959 1.266 . . . . 0.0 114.705 -173.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 O-C-N 120.638 -1.507 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 14.8 m . . . . . 0 N--CA 1.494 1.733 0 N-CA-C 111.575 0.213 . . . . 0.0 111.575 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 26.8 m -131.0 25.2 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.351 0 C-N-CA 125.899 1.68 . . . . 0.0 111.985 178.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 17.3 t80 48.34 32.9 3.44 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.446 1.899 . . . . 0.0 114.136 -169.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 54.88 22.25 4.16 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 126.897 2.079 . . . . 0.0 115.652 173.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 32.8 m -57.94 -34.47 48.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 -175.025 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.66 -48.92 58.14 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.642 0.777 . . . . 0.0 111.976 175.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.1 tt -56.93 -44.05 82.1 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.071 0.948 . . . . 0.0 110.652 177.1 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.0 m -71.34 -3.84 22.87 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.443 1.497 . . . . 0.0 113.603 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -132.53 -68.15 0.62 Allowed 'General case' 0 CA--C 1.545 0.764 0 O-C-N 120.862 -1.149 . . . . 0.0 113.947 -177.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.5 m -76.98 -10.37 13.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 CA-C-N 119.437 1.017 . . . . 0.0 113.708 -178.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.8 m 42.03 38.39 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 127.786 2.434 . . . . 0.0 115.775 172.279 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 56.44 35.17 25.5 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.879 1.671 . . . . 0.0 114.551 -178.017 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.7 p -46.2 -33.48 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 125.672 1.589 . . . . 0.0 114.658 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.6 -33.75 68.53 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.448 1.099 . . . . 0.0 113.915 175.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.2 tp -64.07 -45.78 87.26 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.013 0.925 . . . . 0.0 111.42 175.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -72.55 -35.73 68.09 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.08 0.952 . . . . 0.0 112.169 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.49 -49.75 75.52 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.738 0.815 . . . . 0.0 111.681 170.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -56.59 -41.02 76.28 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.235 -0.916 . . . . 0.0 111.554 171.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.07 6.1 4.26 Favored Glycine 0 CA--C 1.538 1.488 0 C-N-CA 126.206 1.86 . . . . 0.0 116.978 176.021 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.4 pp -139.36 -31.72 0.68 Allowed 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.375 1.588 . . . . 0.0 114.052 170.226 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -134.52 -46.86 0.75 Allowed 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.654 1.182 . . . . 0.0 113.097 179.312 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.283 0.0 OUTLIER 40.77 42.3 1.4 Allowed 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 126.941 2.096 . . . . 0.0 114.466 -177.881 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 31.2 tp -62.63 -36.31 82.38 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.956 1.702 . . . . 0.0 114.17 -170.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -150.03 4.71 0.64 Allowed Glycine 0 CA--C 1.532 1.105 0 N-CA-C 118.441 2.136 . . . . 0.0 118.441 -162.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.0 -21.13 66.38 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 119.611 1.706 . . . . 0.0 113.901 177.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.1 m -142.37 16.37 2.04 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.1 1.36 . . . . 0.0 114.09 -170.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -172.41 176.67 45.31 Favored Glycine 0 CA--C 1.541 1.718 0 O-C-N 120.858 -1.151 . . . . 0.0 115.547 -175.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -64.3 131.59 30.72 Favored 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 124.095 3.197 . . . . 0.0 112.183 -175.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -155.94 11.62 0.3 Allowed 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 115.612 1.708 . . . . 0.0 115.612 -169.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 41.1 mmtm -130.43 33.07 4.34 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 125.354 1.462 . . . . 0.0 113.063 -170.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -135.75 163.59 29.84 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 126.408 1.883 . . . . 0.0 109.929 171.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -143.82 159.55 42.33 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.229 1.412 . . . . 0.0 110.19 177.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.3 m -58.84 145.07 42.23 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.71 1.204 . . . . 0.0 113.039 177.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -136.98 170.38 16.2 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 126.189 1.796 . . . . 0.0 111.904 -177.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -174.21 -179.32 44.76 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 125.017 1.294 . . . . 0.0 113.298 177.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -130.23 15.69 5.61 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 125.697 1.599 . . . . 0.0 113.729 -175.173 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 176.59 -22.66 0.05 OUTLIER Glycine 0 CA--C 1.537 1.411 0 N-CA-C 115.595 0.998 . . . . 0.0 115.595 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 O-C-N 120.44 -1.624 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 17.0 m . . . . . 0 N--CA 1.492 1.673 0 N-CA-C 111.579 0.214 . . . . 0.0 111.579 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 25.6 m -129.2 32.46 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.325 0 C-N-CA 126.104 1.762 . . . . 0.0 111.223 173.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 10.9 t80 43.4 45.14 5.2 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 127.618 2.367 . . . . 0.0 115.11 -174.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 59.69 23.52 12.35 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 115.779 1.77 . . . . 0.0 115.779 163.355 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 18.0 m -55.54 -30.24 25.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 -175.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.62 -52.11 10.3 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 118.869 0.759 . . . . 0.0 112.222 174.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.4 tt -57.37 -43.31 83.45 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.413 1.085 . . . . 0.0 111.169 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.6 m -73.38 -2.42 22.18 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.278 1.431 . . . . 0.0 113.404 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -131.08 -70.89 0.58 Allowed 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.0 -1.062 . . . . 0.0 113.273 -177.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.6 m -75.65 -11.95 14.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 -178.071 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 31.6 m 43.05 34.87 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 C-N-CA 127.758 2.423 . . . . 0.0 116.103 172.1 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 54.22 38.26 28.89 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.442 1.497 . . . . 0.0 114.099 -174.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.6 p -44.51 -31.48 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 C-N-CA 126.992 2.117 . . . . 0.0 114.947 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.58 -35.91 61.35 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.502 1.121 . . . . 0.0 113.876 175.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.5 tp -63.92 -46.52 84.44 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.784 0.833 . . . . 0.0 111.915 175.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -73.02 -33.53 65.81 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.06 0.944 . . . . 0.0 112.201 -177.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.88 -51.59 63.85 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.68 0.792 . . . . 0.0 111.579 168.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -57.54 -36.64 71.89 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.165 -0.96 . . . . 0.0 112.319 175.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.69 0.79 2.82 Favored Glycine 0 CA--C 1.538 1.47 0 C-N-CA 125.964 1.745 . . . . 0.0 116.714 175.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.7 pp -140.86 -26.34 0.73 Allowed 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 118.936 1.368 . . . . 0.0 114.283 168.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -137.6 -44.63 0.54 Allowed 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.814 1.246 . . . . 0.0 113.094 -178.529 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.268 0.0 OUTLIER 40.74 37.78 0.54 Allowed 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 127.368 2.267 . . . . 0.0 115.367 178.117 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.2 tp -64.58 -33.82 76.8 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.623 1.569 . . . . 0.0 114.384 -170.233 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -141.11 7.51 2.63 Favored Glycine 0 CA--C 1.532 1.151 0 N-CA-C 116.718 1.447 . . . . 0.0 116.718 -166.238 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.23 -24.55 67.71 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 118.887 1.344 . . . . 0.0 114.042 179.025 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.1 m -142.01 16.14 2.1 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.281 1.432 . . . . 0.0 114.113 -174.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -171.72 175.66 45.08 Favored Glycine 0 CA--C 1.54 1.639 0 N-CA-C 116.297 1.279 . . . . 0.0 116.297 -176.117 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -65.87 137.78 50.48 Favored 'Trans proline' 0 CA--C 1.538 0.695 0 C-N-CA 124.316 3.344 . . . . 0.0 112.504 -175.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -156.71 15.91 0.3 Allowed 'General case' 0 CA--C 1.553 1.072 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -169.433 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -127.14 24.95 6.28 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 125.314 1.445 . . . . 0.0 113.974 -166.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -136.53 165.57 25.55 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.566 1.946 . . . . 0.0 109.719 171.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -141.47 162.76 34.7 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.098 1.359 . . . . 0.0 110.671 176.136 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 38.3 m -59.15 144.86 44.51 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.665 1.186 . . . . 0.0 113.473 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 32.9 mmt180 -138.52 175.4 9.6 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 126.446 1.899 . . . . 0.0 112.001 -176.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -164.36 176.4 40.28 Favored Glycine 0 CA--C 1.537 1.406 0 C-N-CA 125.854 1.692 . . . . 0.0 112.385 174.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -130.01 19.81 5.45 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 124.803 1.241 . . . . 0.0 113.803 -172.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -175.8 -23.67 0.03 OUTLIER Glycine 0 CA--C 1.538 1.496 0 C-N-CA 124.39 0.995 . . . . 0.0 115.445 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.263 0 O-C-N 120.341 -1.682 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 6.2 m . . . . . 0 N--CA 1.493 1.689 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.7 m -124.57 18.6 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 C-N-CA 125.956 1.702 . . . . 0.0 111.824 171.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . 0.253 2.5 t80 40.75 44.05 1.79 Allowed 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 127.964 2.506 . . . . 0.0 115.313 -171.711 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 62.11 22.57 13.21 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 115.853 1.797 . . . . 0.0 115.853 163.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 15.9 m -51.56 -29.73 10.23 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 N-CA-C 115.457 1.651 . . . . 0.0 115.457 -176.181 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -89.55 -46.69 8.49 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.645 0.778 . . . . 0.0 112.617 174.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.2 tt -57.25 -47.44 81.37 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.447 1.099 . . . . 0.0 111.232 -177.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.3 m -69.72 -9.17 53.42 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.253 1.421 . . . . 0.0 113.617 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -126.29 -73.56 0.62 Allowed 'General case' 0 CA--C 1.543 0.709 0 O-C-N 120.972 -1.08 . . . . 0.0 113.299 -172.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 29.0 m -75.66 -13.33 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -177.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 32.0 m 44.91 33.38 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 C-N-CA 127.843 2.457 . . . . 0.0 116.053 170.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 53.44 38.17 27.34 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.353 1.461 . . . . 0.0 113.873 -174.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.6 p -45.56 -32.11 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 C-N-CA 126.236 1.814 . . . . 0.0 114.767 -178.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.52 -31.95 57.2 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.919 1.288 . . . . 0.0 114.336 175.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.2 tp -61.4 -52.19 65.63 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.279 1.032 . . . . 0.0 111.537 175.238 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -71.9 -33.84 68.65 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.245 1.018 . . . . 0.0 111.921 -178.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.58 -50.72 70.17 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.752 0.821 . . . . 0.0 111.895 170.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -59.5 -36.36 75.92 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 120.899 -1.125 . . . . 0.0 111.674 174.071 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.73 2.36 2.64 Favored Glycine 0 CA--C 1.538 1.5 0 C-N-CA 125.854 1.692 . . . . 0.0 116.91 173.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.3 pp -140.93 -25.6 0.74 Allowed 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.247 1.524 . . . . 0.0 114.481 170.182 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -132.19 -44.12 0.94 Allowed 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.23 1.412 . . . . 0.0 112.635 177.503 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.282 0.0 OUTLIER 40.8 40.42 0.97 Allowed 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 126.967 2.107 . . . . 0.0 114.625 179.548 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.3 tp -63.13 -40.09 96.57 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.492 1.917 . . . . 0.0 114.143 -171.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -149.7 12.47 0.99 Allowed Glycine 0 N--CA 1.473 1.143 0 N-CA-C 117.524 1.77 . . . . 0.0 117.524 -161.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.12 -26.99 69.08 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 119.274 1.537 . . . . 0.0 113.82 178.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.8 m -145.96 20.97 1.44 Allowed 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.054 1.341 . . . . 0.0 113.464 -174.208 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -167.09 173.37 42.33 Favored Glycine 0 CA--C 1.541 1.667 0 N-CA-C 116.083 1.193 . . . . 0.0 116.083 -175.286 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -65.94 134.01 35.67 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 124.209 3.273 . . . . 0.0 112.221 -174.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -156.59 8.97 0.21 Allowed 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 -174.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.3 mmtt -115.14 23.63 12.34 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 125.209 1.404 . . . . 0.0 113.739 -168.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -136.37 162.38 33.18 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 126.582 1.953 . . . . 0.0 110.159 177.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -143.45 164.68 29.63 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.113 1.365 . . . . 0.0 111.024 176.226 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 68.3 m -64.82 144.49 57.22 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.805 0.842 . . . . 0.0 112.248 174.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -138.75 176.66 8.5 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 126.511 1.924 . . . . 0.0 111.587 -176.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.32 176.19 41.62 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 124.936 1.255 . . . . 0.0 113.632 175.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -130.16 5.4 4.88 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 125.675 1.59 . . . . 0.0 114.628 -174.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -161.3 22.32 0.22 Allowed Glycine 0 CA--C 1.537 1.421 0 C-N-CA 124.195 0.902 . . . . 0.0 115.079 -177.228 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.358 0 O-C-N 120.55 -1.559 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 16.0 m . . . . . 0 N--CA 1.493 1.708 0 N-CA-C 111.644 0.238 . . . . 0.0 111.644 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.6 m -128.7 19.09 2.72 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 C-N-CA 125.801 1.64 . . . . 0.0 112.032 175.279 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.3 t80 41.46 44.08 2.38 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 127.103 2.161 . . . . 0.0 114.636 -168.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 62.43 21.71 12.76 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 115.91 1.818 . . . . 0.0 115.91 163.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 18.0 m -52.57 -23.74 5.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 -179.098 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -102.21 -45.35 5.16 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.379 1.072 . . . . 0.0 112.762 173.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 tt -59.09 -44.19 91.91 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.906 0.882 . . . . 0.0 111.718 -177.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.3 m -70.93 -13.29 61.96 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.138 -0.976 . . . . 0.0 113.311 177.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -119.53 -72.04 0.71 Allowed 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.348 1.059 . . . . 0.0 113.247 -169.105 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 19.5 m -75.78 -12.99 14.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.1 m 41.11 36.71 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 C-N-CA 127.493 2.317 . . . . 0.0 116.01 175.074 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 54.63 37.76 28.72 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.912 1.685 . . . . 0.0 114.343 -174.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.2 p -46.68 -31.28 1.5 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 C-N-CA 126.134 1.774 . . . . 0.0 114.682 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.32 -30.2 50.4 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.872 1.269 . . . . 0.0 114.216 175.001 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 67.3 tp -61.16 -44.72 96.87 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.365 1.066 . . . . 0.0 112.042 173.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -79.61 -31.75 41.74 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.239 1.016 . . . . 0.0 111.785 -177.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.05 -51.3 68.54 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.388 0.675 . . . . 0.0 111.404 167.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -56.36 -38.45 71.42 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.075 -1.016 . . . . 0.0 111.738 171.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.22 -1.1 1.99 Allowed Glycine 0 CA--C 1.538 1.507 0 C-N-CA 126.18 1.848 . . . . 0.0 117.229 174.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 pp -140.7 -26.28 0.74 Allowed 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 119.261 1.531 . . . . 0.0 114.341 170.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -133.74 -44.07 0.81 Allowed 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.775 1.63 . . . . 0.0 112.181 179.438 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.266 0.0 OUTLIER 42.12 34.82 0.51 Allowed 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 127.934 2.494 . . . . 0.0 115.518 176.073 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.3 tp -71.55 -33.37 69.07 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.152 1.381 . . . . 0.0 114.34 -168.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -176.0 38.14 0.1 Allowed Glycine 0 CA--C 1.529 0.956 0 N-CA-C 117.03 1.572 . . . . 0.0 117.03 -174.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.53 -22.89 56.78 Favored 'General case' 0 CA--C 1.552 1.04 0 CA-C-N 118.691 1.245 . . . . 0.0 113.239 168.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.1 m -142.72 25.46 1.81 Allowed 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.323 1.849 . . . . 0.0 112.524 179.289 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -167.61 175.36 42.6 Favored Glycine 0 CA--C 1.542 1.731 0 N-CA-C 116.406 1.323 . . . . 0.0 116.406 -172.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -67.47 127.78 17.09 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 124.417 3.411 . . . . 0.0 112.872 -172.005 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -154.25 9.1 0.35 Allowed 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 115.268 1.581 . . . . 0.0 115.268 -174.525 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -119.37 19.94 12.63 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 125.151 1.38 . . . . 0.0 113.777 -166.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -135.51 164.42 27.85 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 126.379 1.871 . . . . 0.0 110.794 178.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -141.37 164.41 30.32 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.751 1.62 . . . . 0.0 111.132 177.151 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 57.1 m -62.7 143.92 56.9 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.965 0.906 . . . . 0.0 112.319 175.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -138.33 171.81 13.83 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 126.326 1.85 . . . . 0.0 111.523 -178.237 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.39 178.63 40.81 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 124.849 1.214 . . . . 0.0 113.696 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -133.26 21.19 4.03 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 125.771 1.628 . . . . 0.0 113.693 -171.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -178.61 -22.76 0.03 OUTLIER Glycine 0 CA--C 1.538 1.484 0 N-CA-C 115.636 1.014 . . . . 0.0 115.636 177.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 O-C-N 120.412 -1.64 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 15.5 m . . . . . 0 N--CA 1.493 1.682 0 N-CA-C 111.437 0.162 . . . . 0.0 111.437 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.1 m -131.29 20.38 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 C-N-CA 125.515 1.526 . . . . 0.0 112.66 -176.313 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 5.6 t80 46.78 37.11 4.38 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 125.915 1.686 . . . . 0.0 113.547 -168.079 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 55.39 24.37 6.58 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 127.292 2.237 . . . . 0.0 116.328 172.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 26.1 m -54.63 -36.41 35.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 -179.013 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.61 -50.6 24.23 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.446 0.699 . . . . 0.0 111.861 175.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.7 tt -56.58 -43.16 79.79 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.269 1.028 . . . . 0.0 111.069 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.8 m -67.49 -12.72 60.99 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.27 1.428 . . . . 0.0 113.595 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -126.27 -68.09 0.83 Allowed 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.319 1.048 . . . . 0.0 113.526 -173.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 31.0 m -75.01 -10.25 13.48 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -179.349 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.1 m 42.07 37.66 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 C-N-CA 127.65 2.38 . . . . 0.0 116.092 172.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 57.08 32.29 21.42 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.972 1.709 . . . . 0.0 114.621 -176.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.2 p -47.19 -31.04 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 125.894 1.678 . . . . 0.0 114.743 -178.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.38 -34.33 66.57 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 176.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 62.6 tp -64.83 -49.01 72.29 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.895 0.878 . . . . 0.0 111.436 174.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -68.02 -36.32 79.74 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.443 1.097 . . . . 0.0 112.081 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.78 -52.17 61.48 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.362 1.065 . . . . 0.0 111.753 171.044 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -56.07 -37.17 68.95 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.086 -1.009 . . . . 0.0 111.971 176.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.81 0.38 3.28 Favored Glycine 0 CA--C 1.539 1.536 0 N-CA-C 117.214 1.646 . . . . 0.0 117.214 175.194 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 pp -145.8 -14.75 0.48 Allowed 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 119.261 1.531 . . . . 0.0 114.905 171.317 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -134.2 -45.81 0.77 Allowed 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.565 1.546 . . . . 0.0 112.494 177.43 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.275 0.0 OUTLIER 41.23 34.53 0.33 Allowed 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 127.14 2.176 . . . . 0.0 115.006 -177.149 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.2 tp -72.15 -19.56 61.74 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.684 1.594 . . . . 0.0 113.848 -171.08 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -151.46 0.99 0.34 Allowed Glycine 0 CA--C 1.534 1.271 0 N-CA-C 117.277 1.671 . . . . 0.0 117.277 -173.041 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.48 -17.6 63.63 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 119.328 1.564 . . . . 0.0 114.225 177.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.0 m -140.65 15.49 2.34 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.044 1.338 . . . . 0.0 113.638 -171.379 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -176.01 175.26 47.34 Favored Glycine 0 CA--C 1.538 1.508 0 O-C-N 121.087 -1.008 . . . . 0.0 114.876 -178.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -62.01 141.86 90.57 Favored 'Trans proline' 0 CA--C 1.537 0.646 0 C-N-CA 123.706 2.937 . . . . 0.0 112.2 -178.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -157.35 6.23 0.15 Allowed 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 -172.015 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -107.59 16.69 23.5 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 125.599 1.56 . . . . 0.0 113.546 -170.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -135.89 162.36 33.05 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 126.749 2.02 . . . . 0.0 110.471 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -140.51 156.92 46.18 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.546 1.539 . . . . 0.0 110.394 173.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 68.8 m -62.64 146.36 52.29 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.362 1.065 . . . . 0.0 113.147 -178.284 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -136.36 174.4 10.65 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 126.658 1.983 . . . . 0.0 111.487 -176.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -164.24 177.71 39.84 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 124.652 1.12 . . . . 0.0 113.843 178.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -132.33 16.9 4.49 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 125.813 1.645 . . . . 0.0 113.906 -172.365 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 176.8 -22.91 0.05 OUTLIER Glycine 0 CA--C 1.536 1.362 0 N-CA-C 115.544 0.978 . . . . 0.0 115.544 177.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.264 0 O-C-N 120.398 -1.648 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 15.5 m . . . . . 0 N--CA 1.493 1.696 0 N-CA-C 111.476 0.176 . . . . 0.0 111.476 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.2 m -130.47 28.17 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 C-N-CA 125.926 1.69 . . . . 0.0 111.859 178.458 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 t80 49.89 31.3 4.52 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.846 2.058 . . . . 0.0 114.811 -173.504 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 55.32 26.81 9.06 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.994 2.118 . . . . 0.0 115.788 172.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.2 m -56.6 -35.78 46.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 -178.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.7 -49.08 64.54 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.475 0.71 . . . . 0.0 111.909 175.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.1 tt -56.65 -42.95 79.78 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.124 0.97 . . . . 0.0 110.609 175.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.5 m -63.34 -24.06 67.69 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.006 1.322 . . . . 0.0 113.653 178.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -121.42 -62.45 1.42 Allowed 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 -170.083 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.1 m -79.82 -6.91 10.06 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 CA-C-N 119.377 0.989 . . . . 0.0 113.587 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.7 m 40.4 38.13 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 127.827 2.451 . . . . 0.0 115.977 175.362 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 53.49 35.09 19.83 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.987 1.715 . . . . 0.0 114.392 -176.108 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.6 p -48.17 -30.63 2.72 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 125.901 1.68 . . . . 0.0 115.028 -176.21 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.03 -27.65 46.14 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.938 1.295 . . . . 0.0 114.423 175.247 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.1 tp -60.45 -50.93 71.61 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.478 1.111 . . . . 0.0 112.016 174.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -72.42 -32.53 66.42 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 123.889 0.875 . . . . 0.0 111.729 -178.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.17 -51.46 66.3 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.587 0.755 . . . . 0.0 111.808 171.209 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -56.29 -36.72 68.94 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 121.093 -1.004 . . . . 0.0 111.883 173.079 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.28 -0.81 1.89 Allowed Glycine 0 CA--C 1.537 1.459 0 C-N-CA 126.059 1.79 . . . . 0.0 117.229 173.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 pp -143.64 -20.79 0.6 Allowed 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.332 1.566 . . . . 0.0 114.75 170.124 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -134.69 -48.03 0.75 Allowed 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.191 1.396 . . . . 0.0 112.271 177.611 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.263 0.0 OUTLIER 41.91 33.59 0.36 Allowed 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 127.188 2.195 . . . . 0.0 115.312 -179.81 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.4 tp -70.33 -24.65 63.04 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.061 1.744 . . . . 0.0 114.1 -171.536 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -145.53 2.83 1.12 Allowed Glycine 0 CA--C 1.532 1.152 0 N-CA-C 116.303 1.281 . . . . 0.0 116.303 -171.123 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.48 -15.39 63.53 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-N 118.667 1.234 . . . . 0.0 113.958 175.392 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.0 m -139.24 3.86 2.19 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 -168.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 174.55 -173.95 46.32 Favored Glycine 0 CA--C 1.541 1.673 0 N-CA-C 116.404 1.322 . . . . 0.0 116.404 -177.005 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -44.6 127.35 7.75 Favored 'Trans proline' 0 C--N 1.353 0.776 1 C-N-CA 126.127 4.551 . . . . 0.0 115.411 -179.378 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -155.36 -1.58 0.15 Allowed 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 115.292 1.59 . . . . 0.0 115.292 -177.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -95.97 15.02 21.69 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 125.172 1.389 . . . . 0.0 114.194 -166.218 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -137.92 164.77 28.16 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.343 1.857 . . . . 0.0 111.231 -178.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -138.62 163.2 32.69 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.78 1.632 . . . . 0.0 110.234 175.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.1 m -64.35 142.96 58.23 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.913 0.885 . . . . 0.0 112.849 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -138.47 174.31 10.68 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 126.812 2.045 . . . . 0.0 111.302 -177.398 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -167.22 177.99 41.56 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 124.586 1.089 . . . . 0.0 113.832 177.367 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -130.16 11.22 5.46 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 125.91 1.684 . . . . 0.0 114.12 -174.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 173.39 -22.04 0.07 OUTLIER Glycine 0 CA--C 1.538 1.477 0 N-CA-C 115.48 0.952 . . . . 0.0 115.48 178.405 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.339 0 O-C-N 120.475 -1.603 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 18.9 m . . . . . 0 N--CA 1.492 1.637 0 N-CA-C 111.521 0.193 . . . . 0.0 111.521 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 33.8 m -127.38 18.42 3.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 C-N-CA 125.708 1.603 . . . . 0.0 112.297 174.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.3 t80 45.33 34.26 1.46 Allowed 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 127.187 2.195 . . . . 0.0 114.768 -171.425 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 58.17 16.68 4.05 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 127.327 2.251 . . . . 0.0 116.244 172.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.4 m -55.18 -36.39 39.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 N-CA-C 114.236 1.198 . . . . 0.0 114.236 -173.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.47 -44.57 70.92 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.597 0.759 . . . . 0.0 112.242 175.401 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 tt -58.76 -44.13 90.5 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.155 0.982 . . . . 0.0 110.756 177.277 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.7 m -66.69 -15.19 63.33 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.092 1.357 . . . . 0.0 113.973 177.154 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -125.14 -68.87 0.82 Allowed 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.074 1.138 . . . . 0.0 114.074 -171.477 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.4 m -75.07 -13.5 15.35 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 CA-C-N 119.557 1.071 . . . . 0.0 113.73 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 29.8 m 44.47 34.6 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 127.713 2.405 . . . . 0.0 116.137 172.153 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 57.01 31.8 20.55 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.834 1.653 . . . . 0.0 114.256 -175.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.0 p -48.96 -32.48 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 125.26 1.424 . . . . 0.0 114.075 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.48 -32.37 66.9 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 175.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 67.4 tp -65.58 -50.44 65.1 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.899 0.88 . . . . 0.0 111.173 175.541 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -69.95 -33.34 71.99 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.102 0.961 . . . . 0.0 112.206 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.14 -50.76 69.17 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.138 0.975 . . . . 0.0 111.731 169.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -56.54 -37.17 70.14 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.649 1.113 . . . . 0.0 111.846 173.508 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.75 1.98 2.15 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 125.798 1.666 . . . . 0.0 117.087 174.528 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.6 pp -141.79 -29.26 0.62 Allowed 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 119.189 1.494 . . . . 0.0 114.285 169.085 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -134.27 -45.84 0.77 Allowed 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.968 1.307 . . . . 0.0 112.428 175.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.258 0.0 OUTLIER 40.82 35.02 0.3 Allowed 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 127.234 2.214 . . . . 0.0 114.935 -179.869 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.2 tp -74.35 -20.25 60.16 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.572 1.549 . . . . 0.0 113.957 -167.216 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -144.3 -1.47 0.92 Allowed Glycine 0 CA--C 1.534 1.275 0 N-CA-C 116.512 1.365 . . . . 0.0 116.512 -174.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.05 -16.15 63.1 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 118.942 1.371 . . . . 0.0 114.08 175.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.8 m -140.59 10.75 2.27 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.885 1.274 . . . . 0.0 114.266 -169.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -178.76 178.97 48.88 Favored Glycine 0 CA--C 1.539 1.543 0 N-CA-C 115.506 0.962 . . . . 0.0 115.506 -176.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -63.4 141.31 80.69 Favored 'Trans proline' 0 CA--C 1.538 0.699 0 C-N-CA 124.183 3.256 . . . . 0.0 112.267 -178.046 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -157.04 7.09 0.16 Allowed 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 -168.254 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -104.45 9.11 35.74 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 114.804 1.409 . . . . 0.0 114.804 -164.204 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -137.57 168.21 20.12 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 126.285 1.834 . . . . 0.0 111.029 -176.263 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -141.85 158.55 43.66 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.222 1.409 . . . . 0.0 111.474 176.465 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 27.1 m -56.5 145.58 27.45 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.831 1.253 . . . . 0.0 113.218 175.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -139.14 174.6 10.34 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 126.498 1.919 . . . . 0.0 111.495 178.231 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -164.16 175.14 40.29 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 124.783 1.182 . . . . 0.0 113.496 177.028 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -130.99 4.93 4.5 Favored 'General case' 0 N--CA 1.483 1.225 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 -171.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -172.4 6.94 0.03 OUTLIER Glycine 0 CA--C 1.537 1.467 0 N-CA-C 116.476 1.35 . . . . 0.0 116.476 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 O-C-N 120.162 -1.787 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 8.2 m . . . . . 0 N--CA 1.492 1.626 0 N-CA-C 111.636 0.236 . . . . 0.0 111.636 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.8 m -133.8 26.03 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 C-N-CA 125.917 1.687 . . . . 0.0 111.913 178.011 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 18.7 t80 47.45 35.74 4.41 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 126.222 1.809 . . . . 0.0 114.02 -170.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 56.89 18.72 4.03 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 126.907 2.083 . . . . 0.0 115.998 172.096 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.8 m -52.26 -35.91 20.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 N-CA-C 115.232 1.567 . . . . 0.0 115.232 -170.126 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.05 -46.17 62.5 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.918 0.781 . . . . 0.0 112.306 175.047 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.5 tt -57.6 -45.94 84.68 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.514 1.125 . . . . 0.0 110.678 177.077 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.1 m -69.65 -6.91 34.59 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.063 1.345 . . . . 0.0 113.883 178.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -128.45 -71.32 0.65 Allowed 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 119.74 1.154 . . . . 0.0 113.837 -175.022 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 17.4 m -73.78 -14.83 16.58 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 CA-C-N 119.565 1.075 . . . . 0.0 113.709 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.2 m 41.94 36.88 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 127.996 2.519 . . . . 0.0 115.942 173.124 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 55.51 37.05 28.36 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.59 1.556 . . . . 0.0 114.315 -176.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.9 p -45.22 -30.83 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 126.392 1.877 . . . . 0.0 114.906 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.9 -35.57 61.76 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.849 1.26 . . . . 0.0 114.33 175.065 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 51.4 tp -63.0 -50.45 70.69 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.097 0.959 . . . . 0.0 111.522 175.443 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -71.58 -28.38 63.79 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.067 0.947 . . . . 0.0 112.205 -176.386 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.41 -52.97 26.96 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.88 0.872 . . . . 0.0 112.139 166.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -55.47 -37.55 67.92 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 120.924 -1.11 . . . . 0.0 112.528 178.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.27 2.48 3.04 Favored Glycine 0 CA--C 1.539 1.574 0 N-CA-C 116.633 1.413 . . . . 0.0 116.633 176.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.8 pp -140.59 -29.54 0.68 Allowed 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 118.91 1.355 . . . . 0.0 113.878 168.175 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -125.15 -54.33 1.6 Allowed 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.212 1.405 . . . . 0.0 111.217 170.392 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.263 0.0 OUTLIER 41.46 28.81 0.08 Allowed 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 126.563 1.945 . . . . 0.0 115.522 -174.252 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 34.7 tp -68.56 -16.61 63.92 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.693 1.997 . . . . 0.0 113.458 -174.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -149.21 -2.97 0.31 Allowed Glycine 0 CA--C 1.534 1.27 0 N-CA-C 116.524 1.369 . . . . 0.0 116.524 -174.419 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.11 -14.59 63.09 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-N 118.99 1.395 . . . . 0.0 113.991 175.208 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.5 m -140.44 12.71 2.35 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.149 1.38 . . . . 0.0 114.069 -171.08 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -176.48 176.8 47.94 Favored Glycine 0 CA--C 1.541 1.677 0 O-C-N 120.969 -1.082 . . . . 0.0 115.175 -178.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -59.78 144.79 99.38 Favored 'Trans proline' 0 CA--C 1.538 0.707 0 C-N-CA 123.365 2.71 . . . . 0.0 111.749 178.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -157.35 14.74 0.25 Allowed 'General case' 0 CA--C 1.551 1.004 0 N-CA-C 114.997 1.481 . . . . 0.0 114.997 -171.472 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -120.09 20.32 12.11 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 125.126 1.37 . . . . 0.0 114.268 -166.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -138.54 167.15 22.55 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 126.698 1.999 . . . . 0.0 110.565 175.044 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -142.06 155.62 45.39 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.472 1.509 . . . . 0.0 110.733 177.276 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.2 m -56.61 146.27 25.81 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.493 1.517 . . . . 0.0 114.076 -178.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -139.3 174.0 10.97 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 126.197 1.799 . . . . 0.0 112.459 -176.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.03 179.53 41.19 Favored Glycine 0 CA--C 1.539 1.556 0 C-N-CA 125.89 1.71 . . . . 0.0 112.686 175.019 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -129.43 11.85 5.88 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 125.281 1.432 . . . . 0.0 114.552 -174.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -177.28 -15.89 0.02 OUTLIER Glycine 0 CA--C 1.537 1.461 0 N-CA-C 116.246 1.258 . . . . 0.0 116.246 178.591 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 O-C-N 120.285 -1.715 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 9.4 m . . . . . 0 N--CA 1.493 1.68 0 N-CA-C 111.539 0.2 . . . . 0.0 111.539 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 31.7 m -133.16 23.53 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 C-N-CA 125.75 1.62 . . . . 0.0 111.87 174.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 47.9 32.64 2.86 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 126.256 1.822 . . . . 0.0 114.393 -171.545 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 56.72 21.33 5.81 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 127.141 2.176 . . . . 0.0 115.964 177.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 29.6 m -59.47 -32.96 49.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 O-C-N 120.751 -1.218 . . . . 0.0 113.179 178.476 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.74 -47.95 73.55 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.686 0.794 . . . . 0.0 111.951 174.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.0 tt -56.69 -44.34 81.38 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.944 0.898 . . . . 0.0 110.273 173.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.1 m -63.56 -21.77 66.53 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.114 1.366 . . . . 0.0 113.8 179.037 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -123.42 -65.23 1.1 Allowed 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 -170.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.9 m -76.59 -10.36 13.23 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 CA-C-N 119.54 1.063 . . . . 0.0 113.683 -179.391 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.4 m 40.76 38.68 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 127.938 2.495 . . . . 0.0 115.663 175.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 54.54 37.95 28.89 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.94 1.696 . . . . 0.0 114.354 -176.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.2 p -45.86 -33.07 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 C-N-CA 125.688 1.595 . . . . 0.0 114.804 -179.579 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.38 -29.31 63.96 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 114.337 1.236 . . . . 0.0 114.337 175.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.1 tp -61.97 -51.11 69.39 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.65 1.18 . . . . 0.0 111.355 174.5 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -70.34 -34.43 72.66 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.105 0.962 . . . . 0.0 111.959 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.75 -51.23 69.18 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.473 0.709 . . . . 0.0 111.74 171.155 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -57.1 -37.33 71.78 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.048 -1.033 . . . . 0.0 111.847 173.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.86 0.61 4.11 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 125.518 1.532 . . . . 0.0 116.91 175.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 pp -142.76 -18.79 0.67 Allowed 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 119.273 1.536 . . . . 0.0 114.834 171.085 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -135.45 -51.14 0.75 Allowed 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.874 1.27 . . . . 0.0 112.39 179.23 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.275 0.0 OUTLIER 40.84 34.41 0.27 Allowed 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 127.272 2.229 . . . . 0.0 115.372 -179.053 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 33.6 tp -72.4 -23.12 61.05 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.106 1.762 . . . . 0.0 113.997 -172.642 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -152.77 6.18 0.45 Allowed Glycine 0 CA--C 1.534 1.261 0 N-CA-C 117.152 1.621 . . . . 0.0 117.152 -168.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.41 -21.42 64.68 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 119.085 1.442 . . . . 0.0 113.969 177.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.5 m -144.35 14.99 1.64 Allowed 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.811 1.244 . . . . 0.0 114.309 -169.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -171.62 176.3 44.85 Favored Glycine 0 CA--C 1.54 1.595 0 O-C-N 120.916 -1.115 . . . . 0.0 115.305 -176.349 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -64.59 135.04 43.69 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 123.897 3.065 . . . . 0.0 111.957 -175.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -155.44 11.09 0.32 Allowed 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 -174.487 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -110.16 17.98 20.43 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 125.295 1.438 . . . . 0.0 113.725 -167.313 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -136.31 165.28 26.14 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 126.967 2.107 . . . . 0.0 110.339 177.239 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -141.32 160.44 40.11 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.278 1.431 . . . . 0.0 110.418 175.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 67.6 m -63.98 143.94 57.48 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.281 1.032 . . . . 0.0 112.682 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 -135.16 173.88 11.23 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 126.52 1.928 . . . . 0.0 111.393 -176.58 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.34 178.17 43.19 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 124.427 1.013 . . . . 0.0 113.936 177.349 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -130.76 13.12 5.34 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.878 1.671 . . . . 0.0 113.853 -175.112 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 172.62 -25.67 0.08 OUTLIER Glycine 0 CA--C 1.536 1.38 0 C-N-CA 124.111 0.862 . . . . 0.0 115.214 176.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.262 0 O-C-N 120.498 -1.589 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 8.7 m . . . . . 0 N--CA 1.492 1.662 0 N-CA-C 111.676 0.25 . . . . 0.0 111.676 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.4 m -130.77 25.35 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 126.151 1.78 . . . . 0.0 111.723 176.372 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.1 t80 46.9 31.99 1.68 Allowed 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 127.128 2.171 . . . . 0.0 114.902 -171.017 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 55.34 24.69 6.77 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 126.893 2.077 . . . . 0.0 115.694 174.086 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 31.2 m -57.89 -38.06 64.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -177.123 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.95 -42.63 69.52 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.472 0.709 . . . . 0.0 112.186 176.639 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.9 tt -58.57 -44.01 89.61 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.134 0.974 . . . . 0.0 110.43 175.1 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.5 m -65.05 -19.03 65.79 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.184 1.394 . . . . 0.0 113.535 177.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -118.93 -72.62 0.68 Allowed 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.283 1.033 . . . . 0.0 113.403 -171.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.2 m -76.16 -15.04 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 -178.246 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.0 m 44.13 35.08 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 128.095 2.558 . . . . 0.0 115.829 172.376 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 54.17 36.89 26.01 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.771 1.629 . . . . 0.0 113.939 -175.594 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.0 p -45.11 -33.75 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 126.067 1.747 . . . . 0.0 114.663 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.45 -31.94 64.45 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 114.269 1.211 . . . . 0.0 114.269 176.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.9 tp -61.16 -52.75 63.54 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.344 1.057 . . . . 0.0 111.247 175.149 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -70.13 -36.36 74.72 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.599 1.159 . . . . 0.0 111.996 -178.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.9 -49.94 70.7 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.984 0.914 . . . . 0.0 111.998 173.476 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -58.09 -36.9 73.52 Favored 'General case' 0 N--CA 1.471 0.625 0 O-C-N 121.022 -1.049 . . . . 0.0 111.501 173.229 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.52 1.67 2.14 Favored Glycine 0 CA--C 1.539 1.533 0 C-N-CA 125.855 1.693 . . . . 0.0 116.987 174.368 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.8 pp -140.32 -30.19 0.67 Allowed 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.349 1.574 . . . . 0.0 114.424 168.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -132.46 -46.08 0.9 Allowed 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.436 1.495 . . . . 0.0 112.173 176.488 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.267 0.0 OUTLIER 41.23 36.33 0.48 Allowed 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 127.554 2.342 . . . . 0.0 114.89 179.562 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 23.8 tp -78.8 -22.14 46.74 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.379 1.472 . . . . 0.0 114.448 -166.045 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -150.77 9.1 0.74 Allowed Glycine 0 CA--C 1.533 1.197 0 N-CA-C 117.053 1.581 . . . . 0.0 117.053 -167.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.65 -22.88 66.1 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 119.012 1.406 . . . . 0.0 113.992 178.213 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.1 m -145.17 14.05 1.45 Allowed 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.894 1.277 . . . . 0.0 114.256 -170.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -170.57 177.67 43.59 Favored Glycine 0 CA--C 1.54 1.621 0 O-C-N 120.822 -1.174 . . . . 0.0 115.752 -174.508 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -65.56 136.0 44.54 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 124.076 3.184 . . . . 0.0 112.5 -173.088 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -156.87 13.98 0.27 Allowed 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 -174.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -110.43 14.84 22.48 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 -163.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -136.94 167.04 22.24 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.414 1.886 . . . . 0.0 110.887 178.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -142.03 161.94 36.72 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.641 1.576 . . . . 0.0 110.471 174.066 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.4 m -58.91 145.83 39.91 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.604 1.162 . . . . 0.0 112.979 176.24 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -135.5 175.2 9.81 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 126.305 1.842 . . . . 0.0 111.938 -176.642 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -164.41 176.53 40.3 Favored Glycine 0 CA--C 1.537 1.446 0 C-N-CA 125.113 1.339 . . . . 0.0 113.847 178.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -133.5 9.68 4.0 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 125.509 1.524 . . . . 0.0 114.848 -171.424 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -170.78 -15.19 0.02 OUTLIER Glycine 0 CA--C 1.539 1.566 0 N-CA-C 116.566 1.387 . . . . 0.0 116.566 -179.193 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.279 0 O-C-N 120.274 -1.721 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 16.5 m . . . . . 0 N--CA 1.493 1.697 0 N-CA-C 111.55 0.204 . . . . 0.0 111.55 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.9 m -128.69 18.87 2.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 C-N-CA 125.738 1.615 . . . . 0.0 112.029 174.094 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER 44.78 33.17 0.92 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 127.357 2.263 . . . . 0.0 115.121 -171.397 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 58.19 19.63 6.34 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.958 2.103 . . . . 0.0 115.612 172.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 33.8 m -59.55 -35.31 58.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 O-C-N 121.128 -0.982 . . . . 0.0 113.601 -175.267 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.92 -48.76 65.06 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.467 0.707 . . . . 0.0 111.736 175.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.3 tt -56.33 -43.12 78.7 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.043 0.937 . . . . 0.0 110.482 174.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 35.9 m -63.53 -22.79 67.09 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.169 1.388 . . . . 0.0 113.758 178.259 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -122.31 -63.93 1.24 Allowed 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 -169.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.5 m -76.01 -9.87 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 CA-C-N 119.445 1.02 . . . . 0.0 113.478 178.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.8 m 39.76 39.87 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 127.963 2.505 . . . . 0.0 115.896 175.282 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 56.8 34.93 25.51 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.281 1.833 . . . . 0.0 114.61 -177.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.2 p -44.75 -34.81 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 C-N-CA 125.776 1.63 . . . . 0.0 114.903 -179.132 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.95 -34.25 69.72 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 177.116 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.5 tp -63.32 -46.33 87.17 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.08 0.952 . . . . 0.0 111.545 175.384 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -75.22 -32.76 61.25 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.049 0.94 . . . . 0.0 112.159 -177.561 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.63 -51.52 66.95 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.773 0.829 . . . . 0.0 111.444 167.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -58.1 -36.13 72.44 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.081 -1.012 . . . . 0.0 111.968 174.301 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.51 -0.9 2.94 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 126.302 1.906 . . . . 0.0 116.867 174.425 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.6 pp -140.26 -27.46 0.75 Allowed 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 119.163 1.482 . . . . 0.0 114.277 169.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -133.69 -44.48 0.81 Allowed 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.316 1.446 . . . . 0.0 112.559 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.257 0.0 OUTLIER 40.82 36.83 0.44 Allowed 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 127.473 2.309 . . . . 0.0 114.93 178.228 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.4 tp -70.08 -28.78 65.69 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.271 1.429 . . . . 0.0 114.412 -164.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -144.5 7.43 1.77 Allowed Glycine 0 CA--C 1.533 1.207 0 N-CA-C 116.843 1.497 . . . . 0.0 116.843 -168.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.31 -24.41 67.27 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 119.077 1.438 . . . . 0.0 113.829 177.516 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.0 m -145.1 16.69 1.55 Allowed 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.058 1.343 . . . . 0.0 113.932 -172.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -170.38 175.68 44.22 Favored Glycine 0 CA--C 1.542 1.732 0 N-CA-C 116.181 1.232 . . . . 0.0 116.181 -175.119 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -65.9 135.07 39.69 Favored 'Trans proline' 0 CA--C 1.54 0.791 0 C-N-CA 124.424 3.416 . . . . 0.0 112.698 -174.333 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -154.33 4.56 0.26 Allowed 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 115.691 1.737 . . . . 0.0 115.691 -170.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -106.66 14.79 26.5 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.875 1.27 . . . . 0.0 114.381 -167.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -135.59 162.06 33.77 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 126.113 1.765 . . . . 0.0 111.537 -176.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -144.56 152.88 41.19 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.71 1.604 . . . . 0.0 110.889 175.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.8 m -55.05 148.65 13.35 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 126.371 1.868 . . . . 0.0 115.091 -176.521 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -138.02 176.37 8.76 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 127.028 2.131 . . . . 0.0 111.56 -178.275 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.36 -178.09 39.87 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 124.471 1.034 . . . . 0.0 114.148 179.046 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 -126.74 4.2 6.7 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 125.708 1.603 . . . . 0.0 114.955 -174.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -168.8 10.08 0.05 OUTLIER Glycine 0 CA--C 1.539 1.571 0 N-CA-C 116.215 1.246 . . . . 0.0 116.215 -179.626 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 O-C-N 120.261 -1.729 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 28.6 m . . . . . 0 N--CA 1.494 1.729 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.7 m -119.98 22.72 5.22 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 C-N-CA 125.983 1.713 . . . . 0.0 111.249 168.046 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.2 t80 38.87 37.13 0.18 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 128.447 2.699 . . . . 0.0 115.268 -167.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 57.72 18.28 4.69 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 126.645 1.978 . . . . 0.0 115.427 172.216 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 31.3 m -61.4 -36.56 73.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 O-C-N 121.014 -1.054 . . . . 0.0 113.389 -173.551 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.94 -45.75 69.96 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.582 0.753 . . . . 0.0 111.868 175.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.5 tt -56.12 -43.74 78.45 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.459 1.104 . . . . 0.0 110.538 174.455 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.8 m -66.14 -22.76 66.39 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.007 1.323 . . . . 0.0 113.709 178.561 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -119.66 -66.17 1.09 Allowed 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 -169.498 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.3 m -76.41 -10.47 13.34 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 179.248 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.2 m 40.36 37.96 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 C-N-CA 127.844 2.458 . . . . 0.0 116.146 174.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 54.21 37.4 27.15 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.949 1.7 . . . . 0.0 114.423 -175.561 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.8 p -44.9 -35.36 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.215 0 C-N-CA 126.214 1.806 . . . . 0.0 114.804 -178.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.96 -26.78 64.74 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 114.578 1.325 . . . . 0.0 114.578 177.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.4 tp -64.98 -46.34 81.87 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.05 0.94 . . . . 0.0 111.851 176.362 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -70.71 -33.87 71.32 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.642 0.777 . . . . 0.0 111.627 178.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.88 -50.1 72.23 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.361 0.664 . . . . 0.0 111.807 170.142 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -55.59 -38.89 70.0 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 121.142 -0.974 . . . . 0.0 111.941 173.372 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.49 2.7 3.1 Favored Glycine 0 CA--C 1.536 1.398 0 N-CA-C 117.021 1.568 . . . . 0.0 117.021 176.34 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.6 pp -141.35 -27.92 0.67 Allowed 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 119.088 1.444 . . . . 0.0 114.452 169.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -133.7 -50.22 0.84 Allowed 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.937 1.295 . . . . 0.0 112.092 -179.301 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.273 0.0 OUTLIER 40.03 35.91 0.27 Allowed 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 127.496 2.318 . . . . 0.0 115.063 -179.459 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.3 tp -69.2 -28.4 66.35 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.883 1.673 . . . . 0.0 113.938 -170.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -149.45 4.31 0.68 Allowed Glycine 0 N--CA 1.474 1.219 0 N-CA-C 117.248 1.659 . . . . 0.0 117.248 -168.178 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.2 -20.5 65.72 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-N 119.138 1.469 . . . . 0.0 113.911 177.26 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.0 m -143.01 16.13 1.92 Allowed 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.873 1.269 . . . . 0.0 114.004 -171.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -171.85 172.22 44.56 Favored Glycine 0 CA--C 1.541 1.7 0 O-C-N 120.914 -1.116 . . . . 0.0 115.467 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -56.3 138.01 82.03 Favored 'Trans proline' 0 CA--C 1.539 0.75 0 C-N-CA 124.318 3.345 . . . . 0.0 112.934 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -157.57 12.43 0.21 Allowed 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 115.246 1.573 . . . . 0.0 115.246 -171.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -116.17 16.98 15.89 Favored 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 114.81 1.411 . . . . 0.0 114.81 -163.152 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -136.6 170.55 15.88 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 126.058 1.743 . . . . 0.0 110.778 174.579 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -143.14 152.88 42.29 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.264 1.426 . . . . 0.0 110.693 175.477 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 41.9 m -53.33 146.6 11.87 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.678 1.591 . . . . 0.0 114.88 -177.591 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.3 mmt180 -138.19 176.89 8.3 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 126.845 2.058 . . . . 0.0 111.49 -178.399 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -164.55 178.21 39.86 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 124.697 1.141 . . . . 0.0 113.778 177.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -131.04 14.29 5.21 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 125.753 1.621 . . . . 0.0 114.108 -173.396 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 176.28 -24.52 0.06 OUTLIER Glycine 0 CA--C 1.538 1.494 0 N-CA-C 115.404 0.922 . . . . 0.0 115.404 177.291 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.343 0 O-C-N 120.552 -1.557 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 16.9 m . . . . . 0 N--CA 1.492 1.643 0 N-CA-C 111.621 0.23 . . . . 0.0 111.621 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 26.8 m -126.52 25.93 2.65 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 C-N-CA 126.142 1.777 . . . . 0.0 111.374 171.539 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 8.9 t80 41.38 39.47 1.03 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 127.878 2.471 . . . . 0.0 115.002 -169.465 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 59.21 19.55 7.6 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.259 1.824 . . . . 0.0 115.759 167.117 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.5 m -57.61 -36.72 55.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -174.193 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.1 -48.59 42.8 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.471 0.708 . . . . 0.0 111.94 174.132 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.4 tt -55.85 -40.59 73.11 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.638 1.175 . . . . 0.0 111.243 178.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.4 m -69.83 -14.6 62.83 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.227 1.411 . . . . 0.0 113.626 178.558 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -125.61 -57.28 1.46 Allowed 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 -169.396 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.3 m -83.03 -10.99 12.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 CA-C-N 119.356 0.98 . . . . 0.0 113.323 176.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 30.8 m 37.73 41.59 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.225 0 C-N-CA 128.026 2.53 . . . . 0.0 115.918 175.518 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 55.16 39.01 31.31 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.811 1.644 . . . . 0.0 114.56 -177.496 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.4 p -44.57 -32.17 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 C-N-CA 126.4 1.88 . . . . 0.0 114.822 177.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.3 -35.25 62.43 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.689 1.196 . . . . 0.0 114.075 175.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.6 tp -62.27 -49.53 75.32 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.95 0.9 . . . . 0.0 111.592 175.262 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -72.15 -32.07 66.56 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.913 0.885 . . . . 0.0 112.134 -176.47 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.98 -53.81 40.33 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.705 0.802 . . . . 0.0 111.803 168.421 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -56.59 -37.35 70.5 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 121.245 -0.909 . . . . 0.0 112.252 176.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.8 1.38 3.37 Favored Glycine 0 CA--C 1.539 1.536 0 C-N-CA 126.003 1.763 . . . . 0.0 116.785 177.184 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 pp -140.93 -27.1 0.72 Allowed 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 118.822 1.311 . . . . 0.0 114.076 167.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -135.37 -45.35 0.69 Allowed 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.993 1.317 . . . . 0.0 112.37 -178.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.273 0.0 OUTLIER 41.1 35.83 0.41 Allowed 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 127.818 2.447 . . . . 0.0 115.468 176.485 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 37.9 tp -66.82 -26.71 67.06 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.819 1.648 . . . . 0.0 114.407 -170.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -142.14 -2.43 1.17 Allowed Glycine 0 CA--C 1.533 1.183 0 N-CA-C 117.027 1.571 . . . . 0.0 117.027 -167.391 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.44 -12.98 62.11 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 118.986 1.393 . . . . 0.0 113.973 174.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.8 m -139.49 5.83 2.26 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 -169.185 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 178.66 179.75 48.56 Favored Glycine 0 CA--C 1.541 1.668 0 N-CA-C 116.106 1.202 . . . . 0.0 116.106 -179.065 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -51.53 131.79 38.2 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 124.934 3.756 . . . . 0.0 113.759 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -156.41 6.73 0.19 Allowed 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 115.043 1.497 . . . . 0.0 115.043 -175.59 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -112.71 21.66 15.33 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 125.133 1.373 . . . . 0.0 113.721 -167.458 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -136.13 164.67 27.51 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 126.728 2.011 . . . . 0.0 110.17 173.172 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -141.89 158.32 43.92 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.451 1.501 . . . . 0.0 110.509 175.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.4 m -56.46 148.34 19.53 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.953 1.301 . . . . 0.0 114.403 -177.381 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -138.2 170.99 15.07 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 126.345 1.858 . . . . 0.0 112.212 -177.659 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.48 179.58 40.36 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 125.692 1.615 . . . . 0.0 112.857 178.502 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -132.74 23.61 4.3 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 125.391 1.477 . . . . 0.0 113.707 -171.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -177.97 -21.76 0.03 OUTLIER Glycine 0 CA--C 1.536 1.401 0 N-CA-C 115.711 1.044 . . . . 0.0 115.711 177.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.254 0 O-C-N 120.393 -1.651 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 16.1 m . . . . . 0 N--CA 1.493 1.678 0 N-CA-C 111.534 0.198 . . . . 0.0 111.534 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.7 m -130.23 26.79 1.69 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.371 0 C-N-CA 126.024 1.73 . . . . 0.0 111.662 176.439 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.3 t80 42.69 41.13 2.3 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 127.55 2.34 . . . . 0.0 115.127 -171.109 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 59.61 22.86 11.57 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 115.492 1.664 . . . . 0.0 115.492 163.045 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 20.5 m -54.87 -26.12 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 N-CA-C 115.418 1.636 . . . . 0.0 115.418 -172.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -88.53 -46.46 9.08 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.664 0.786 . . . . 0.0 112.553 171.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 tt -57.9 -45.15 86.89 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.444 1.098 . . . . 0.0 111.473 -178.543 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.1 m -71.19 -10.41 59.71 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.014 1.326 . . . . 0.0 113.498 178.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -124.3 -74.4 0.61 Allowed 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.029 -1.044 . . . . 0.0 113.256 -171.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 18.4 m -72.2 -15.02 17.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.6 m 41.51 38.15 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.2 0 C-N-CA 127.662 2.385 . . . . 0.0 115.816 174.072 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 55.12 38.04 29.85 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.99 1.716 . . . . 0.0 114.262 -176.429 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.6 p -47.48 -30.81 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 125.748 1.619 . . . . 0.0 114.985 -177.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.2 -28.56 53.9 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.905 1.282 . . . . 0.0 114.26 174.438 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 67.6 tp -61.37 -45.88 92.52 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.434 1.093 . . . . 0.0 112.113 174.548 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -74.62 -31.7 62.08 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 123.483 0.713 . . . . 0.0 111.972 -178.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.78 -51.76 65.84 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.236 0.615 . . . . 0.0 111.478 168.119 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -56.78 -38.24 72.23 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.037 -1.04 . . . . 0.0 111.99 173.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.59 2.42 3.44 Favored Glycine 0 CA--C 1.538 1.479 0 C-N-CA 125.75 1.643 . . . . 0.0 116.854 176.536 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.4 pp -141.44 -29.07 0.64 Allowed 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 118.957 1.379 . . . . 0.0 114.305 170.057 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -131.83 -51.48 0.98 Allowed 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 125.462 1.505 . . . . 0.0 111.522 179.209 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.27 0.0 OUTLIER 41.99 31.78 0.25 Allowed 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 127.746 2.418 . . . . 0.0 115.506 -179.757 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.3 tp -68.49 -27.1 65.84 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.312 1.845 . . . . 0.0 114.233 -171.39 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -146.86 11.44 1.44 Allowed Glycine 0 CA--C 1.533 1.207 0 N-CA-C 116.174 1.23 . . . . 0.0 116.174 -168.284 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.68 -24.52 67.6 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 118.636 1.218 . . . . 0.0 113.897 178.412 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.2 m -145.23 13.22 1.41 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.821 1.248 . . . . 0.0 114.215 -171.382 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -171.35 179.07 43.37 Favored Glycine 0 CA--C 1.54 1.607 0 N-CA-C 116.457 1.343 . . . . 0.0 116.457 -172.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -64.47 135.97 48.43 Favored 'Trans proline' 0 CA--C 1.537 0.646 0 C-N-CA 124.483 3.455 . . . . 0.0 112.594 -173.493 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -156.87 11.36 0.23 Allowed 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 -174.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -119.37 27.65 8.67 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 125.297 1.439 . . . . 0.0 113.711 -166.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 57.4 mttp -138.22 164.02 30.25 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 127.306 2.242 . . . . 0.0 109.88 174.12 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -143.09 151.9 41.25 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.093 1.357 . . . . 0.0 110.23 174.179 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.8 m -55.56 147.04 18.84 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 125.504 1.522 . . . . 0.0 114.493 -177.037 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 -138.5 173.16 11.89 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 126.062 1.745 . . . . 0.0 112.756 -175.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -164.61 179.51 39.3 Favored Glycine 0 CA--C 1.538 1.52 0 C-N-CA 126.22 1.867 . . . . 0.0 112.514 176.077 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -129.23 8.08 5.51 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 114.997 1.48 . . . . 0.0 114.997 -171.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 176.96 -18.78 0.04 OUTLIER Glycine 0 CA--C 1.536 1.405 0 N-CA-C 116.078 1.191 . . . . 0.0 116.078 177.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 O-C-N 120.393 -1.651 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 17.3 m . . . . . 0 N--CA 1.493 1.717 0 N-CA-C 111.415 0.154 . . . . 0.0 111.415 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.0 m -131.5 24.23 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 C-N-CA 125.655 1.582 . . . . 0.0 112.526 -177.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 26.3 t80 48.09 36.14 6.1 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 126.19 1.796 . . . . 0.0 114.257 -169.314 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 54.29 30.67 12.87 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 126.14 1.776 . . . . 0.0 115.683 167.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 24.0 m -58.33 -5.2 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.225 0 N-CA-C 116.519 2.044 . . . . 0.0 116.519 -177.288 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -118.43 -35.63 3.72 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.84 1.256 . . . . 0.0 113.422 171.158 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.9 tt -67.88 -48.1 67.01 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.293 1.037 . . . . 0.0 111.027 176.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 38.1 m -69.44 -24.34 63.8 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 121.085 -1.009 . . . . 0.0 112.772 176.687 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -104.71 -69.88 0.79 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.838 0.855 . . . . 0.0 113.253 -171.218 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 t -75.74 -35.55 31.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 O-C-N 121.185 -0.947 . . . . 0.0 112.082 -174.529 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.7 m 41.26 39.45 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 C-N-CA 128.209 2.604 . . . . 0.0 115.505 175.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 56.95 43.17 25.11 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.668 1.587 . . . . 0.0 113.932 -177.305 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.8 p -43.32 -32.57 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 126.03 1.732 . . . . 0.0 114.139 173.253 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.18 -34.71 64.08 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.83 1.252 . . . . 0.0 114.23 175.172 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.1 tp -65.84 -49.09 69.43 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.704 1.138 . . . . 0.0 111.572 176.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -66.39 -37.55 85.51 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.034 0.934 . . . . 0.0 111.867 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.68 -53.06 53.39 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.967 0.907 . . . . 0.0 112.09 172.196 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -56.28 -35.86 67.96 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.078 -1.014 . . . . 0.0 112.242 176.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.63 -0.78 2.96 Favored Glycine 0 CA--C 1.538 1.471 0 N-CA-C 117.084 1.594 . . . . 0.0 117.084 174.615 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 pp -141.35 -24.84 0.72 Allowed 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 119.042 1.421 . . . . 0.0 114.355 168.292 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -135.33 -50.07 0.74 Allowed 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.382 1.473 . . . . 0.0 112.136 177.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.282 0.0 OUTLIER 41.5 32.89 0.25 Allowed 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 127.404 2.281 . . . . 0.0 115.458 -175.76 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 35.5 tp -68.78 -24.27 64.39 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.955 1.702 . . . . 0.0 113.686 -175.53 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -158.74 11.04 0.2 Allowed Glycine 0 CA--C 1.535 1.295 0 N-CA-C 117.295 1.678 . . . . 0.0 117.295 -169.357 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.41 -15.82 63.61 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 119.1 1.45 . . . . 0.0 114.403 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.0 m -147.27 22.96 1.18 Allowed 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.534 1.534 . . . . 0.0 113.384 -178.186 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -172.09 172.18 44.62 Favored Glycine 0 CA--C 1.539 1.59 0 O-C-N 120.879 -1.138 . . . . 0.0 115.228 179.065 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -53.83 139.87 68.43 Favored 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 124.307 3.338 . . . . 0.0 113.276 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -157.2 11.69 0.22 Allowed 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 114.467 1.284 . . . . 0.0 114.467 -174.224 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -122.25 21.32 10.41 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 125.622 1.569 . . . . 0.0 113.532 -166.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -133.96 166.59 22.34 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 127.192 2.197 . . . . 0.0 110.313 173.648 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -141.81 162.52 35.28 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.822 1.249 . . . . 0.0 110.807 179.036 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 45.0 m -62.06 144.32 55.39 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.814 0.846 . . . . 0.0 112.403 173.449 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -138.47 172.71 12.49 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 126.447 1.899 . . . . 0.0 111.215 -179.456 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -165.33 177.63 40.61 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 124.628 1.109 . . . . 0.0 113.705 179.232 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -131.45 11.48 4.91 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 125.499 1.52 . . . . 0.0 114.134 -171.435 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 173.55 -22.6 0.07 OUTLIER Glycine 0 CA--C 1.54 1.638 0 N-CA-C 115.48 0.952 . . . . 0.0 115.48 178.601 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.216 0 O-C-N 120.472 -1.605 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.6 m . . . . . 0 N--CA 1.487 1.39 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 11.7 t80 44.53 36.32 1.66 Allowed 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 126.527 1.931 . . . . 0.0 114.144 -167.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 56.27 20.46 4.61 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 127.129 2.172 . . . . 0.0 116.17 173.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.1 m -52.73 -36.51 23.14 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 N-CA-C 114.622 1.341 . . . . 0.0 114.622 -174.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.68 -47.07 56.68 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.313 0.645 . . . . 0.0 112.17 174.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 tt -58.26 -43.54 87.93 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.427 1.091 . . . . 0.0 111.185 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.4 m -65.47 -16.88 64.1 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.724 1.209 . . . . 0.0 113.843 177.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -120.16 -68.91 0.88 Allowed 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.225 1.01 . . . . 0.0 113.574 -171.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 16.7 m . . . . . 0 N--CA 1.482 1.149 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 179.823 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.4 m . . . . . 0 N--CA 1.482 1.145 0 N-CA-C 116.21 1.93 . . . . 0.0 116.21 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 56.27 30.89 17.5 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 126.005 1.722 . . . . 0.0 114.832 -177.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.9 p -50.65 -25.17 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 126.13 1.772 . . . . 0.0 115.188 -178.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.91 -30.08 44.75 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.53 1.132 . . . . 0.0 113.938 173.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.9 tp -62.29 -46.96 86.42 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.993 0.917 . . . . 0.0 112.029 173.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -70.72 -34.1 71.55 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.707 0.803 . . . . 0.0 111.923 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.04 -51.71 66.9 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.398 0.679 . . . . 0.0 111.686 170.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -57.15 -38.29 73.32 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.174 -0.954 . . . . 0.0 112.042 174.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.24 -0.55 4.59 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 125.78 1.657 . . . . 0.0 116.744 176.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.6 pp . . . . . 0 N--CA 1.474 0.769 0 CA-C-N 119.184 1.492 . . . . 0.0 114.3 170.916 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.47 0.569 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.271 0.0 OUTLIER 41.37 34.72 0.37 Allowed 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 127.741 2.416 . . . . 0.0 115.977 175.496 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.2 tp . . . . . 0 CA--C 1.543 0.706 0 C-N-CA 125.76 1.624 . . . . 0.0 114.494 -171.527 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.069 0 N-CA-C 116.898 1.519 . . . . 0.0 116.898 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.72 -30.32 71.33 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 118.895 1.348 . . . . 0.0 113.575 178.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.3 m -145.74 19.15 1.48 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.119 1.368 . . . . 0.0 113.758 -172.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -165.25 174.16 41.09 Favored Glycine 0 CA--C 1.541 1.677 0 N-CA-C 116.091 1.197 . . . . 0.0 116.091 -174.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -67.82 132.0 25.56 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 124.164 3.243 . . . . 0.0 112.297 -172.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -155.88 11.25 0.29 Allowed 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 -173.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.9 mmtt -114.62 25.42 11.02 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 125.028 1.331 . . . . 0.0 113.859 -167.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -137.25 164.27 28.93 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 126.337 1.855 . . . . 0.0 110.347 176.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -143.1 159.93 41.35 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.004 1.322 . . . . 0.0 111.367 175.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.5 m -59.56 150.27 27.61 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.33 1.452 . . . . 0.0 114.228 -176.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -139.29 170.39 16.03 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 126.674 1.99 . . . . 0.0 111.824 -177.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -173.81 174.87 46.39 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 124.767 1.175 . . . . 0.0 113.731 176.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -133.72 9.46 3.92 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 125.653 1.581 . . . . 0.0 114.353 -174.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.405 0 C-N-CA 124.38 0.991 . . . . 0.0 114.953 -175.768 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.2 m . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 121.423 0.63 . . . . 0.0 111.961 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 3.5 t80 48.81 28.71 1.99 Allowed 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.671 1.988 . . . . 0.0 114.65 -172.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 54.87 21.23 3.51 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 127.355 2.262 . . . . 0.0 115.736 176.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 29.6 m -52.94 -37.26 25.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 -169.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.59 -45.55 65.11 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 118.73 0.695 . . . . 0.0 112.192 175.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.9 tt -59.59 -43.29 93.74 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.42 1.088 . . . . 0.0 110.753 177.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.4 m -63.33 -17.93 63.09 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.672 1.189 . . . . 0.0 113.768 175.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -115.48 -69.89 0.83 Allowed 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.456 1.103 . . . . 0.0 113.476 -172.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 15.4 m . . . . . 0 N--CA 1.483 1.216 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 -178.855 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.0 m . . . . . 0 N--CA 1.483 1.223 0 N-CA-C 115.785 1.772 . . . . 0.0 115.785 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 55.85 31.19 17.22 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 126.109 1.764 . . . . 0.0 114.856 -177.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.9 p -49.67 -29.51 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 C-N-CA 126.012 1.725 . . . . 0.0 115.558 -173.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.43 -27.06 45.54 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.434 1.094 . . . . 0.0 113.855 174.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.2 tp -61.1 -41.2 96.23 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.278 1.031 . . . . 0.0 112.491 173.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -76.14 -32.08 58.92 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 121.689 -0.632 . . . . 0.0 111.978 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.09 -49.92 72.57 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.241 0.616 . . . . 0.0 111.284 168.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -56.71 -40.65 76.02 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 121.276 -0.89 . . . . 0.0 111.814 171.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.74 3.66 3.63 Favored Glycine 0 CA--C 1.537 1.433 0 C-N-CA 126.012 1.768 . . . . 0.0 116.627 177.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.5 pp . . . . . 0 N--CA 1.472 0.653 0 CA-C-N 119.068 1.434 . . . . 0.0 114.159 171.305 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.47 0.541 0 CA-C-O 119.256 -0.402 . . . . 0.0 111.337 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.278 0.0 OUTLIER 40.33 37.51 0.44 Allowed 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 127.502 2.321 . . . . 0.0 114.905 179.248 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 38.8 tp . . . . . 0 CA--C 1.543 0.679 0 C-N-CA 126.193 1.797 . . . . 0.0 114.491 -169.369 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.089 0 N-CA-C 117.711 1.844 . . . . 0.0 117.711 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.6 -28.85 70.2 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 119.292 1.546 . . . . 0.0 113.58 177.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.4 m -145.47 19.34 1.53 Allowed 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.16 1.384 . . . . 0.0 113.737 -172.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -164.86 175.15 40.85 Favored Glycine 0 CA--C 1.54 1.613 0 O-C-N 120.846 -1.159 . . . . 0.0 115.657 -174.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -66.75 128.41 18.88 Favored 'Trans proline' 0 CA--C 1.537 0.667 0 C-N-CA 124.13 3.22 . . . . 0.0 112.497 -171.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -155.59 14.44 0.36 Allowed 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -175.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.7 mmtm -125.92 29.82 5.82 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 125.568 1.547 . . . . 0.0 113.09 -164.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -138.69 163.78 31.24 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 127.41 2.284 . . . . 0.0 109.123 172.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -142.2 161.14 38.77 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.589 1.155 . . . . 0.0 111.493 174.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.2 m -57.19 147.13 25.89 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.57 1.548 . . . . 0.0 114.121 -177.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -138.13 170.0 16.81 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 126.551 1.94 . . . . 0.0 111.622 -178.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -175.43 176.93 47.41 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 124.872 1.225 . . . . 0.0 113.704 176.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -131.62 9.23 4.63 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 125.678 1.591 . . . . 0.0 114.184 -175.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.398 0 C-N-CA 124.481 1.038 . . . . 0.0 114.948 -176.693 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 33.6 m . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 121.383 0.611 . . . . 0.0 111.74 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 4.1 t80 48.33 30.15 2.19 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 126.801 2.041 . . . . 0.0 114.429 -170.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 56.46 15.71 2.15 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 127.939 2.495 . . . . 0.0 116.235 175.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 34.9 m -54.7 -34.08 29.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 N-CA-C 114.891 1.441 . . . . 0.0 114.891 -170.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.94 -50.03 46.03 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.086 0.554 . . . . 0.0 112.092 174.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.6 tt -56.27 -43.46 78.79 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.697 1.199 . . . . 0.0 110.649 176.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 48.1 m -62.73 -17.64 61.18 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.127 1.371 . . . . 0.0 114.203 177.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -123.15 -64.66 1.15 Allowed 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -172.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.9 m . . . . . 0 N--CA 1.482 1.155 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 179.563 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 32.6 m . . . . . 0 N--CA 1.485 1.275 0 N-CA-C 116.265 1.95 . . . . 0.0 116.265 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 52.42 37.41 22.58 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.386 1.474 . . . . 0.0 113.822 -172.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.2 p -49.96 -29.01 4.86 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 125.401 1.48 . . . . 0.0 114.465 -176.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.25 -26.46 40.03 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.137 1.375 . . . . 0.0 113.78 173.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.2 tp -59.84 -48.15 82.85 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.127 1.371 . . . . 0.0 111.838 173.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -75.47 -32.07 60.48 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.858 0.863 . . . . 0.0 111.466 -178.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.94 -48.28 77.14 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.349 0.66 . . . . 0.0 111.769 169.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -59.32 -37.25 77.3 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 120.892 -1.13 . . . . 0.0 111.545 171.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.61 3.01 1.5 Allowed Glycine 0 CA--C 1.538 1.522 0 C-N-CA 126.126 1.822 . . . . 0.0 116.995 172.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 pp . . . . . 0 N--CA 1.474 0.767 0 CA-C-N 118.837 1.319 . . . . 0.0 114.315 169.901 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 . . . . . 0 N--CA 1.467 0.407 0 CA-C-O 118.841 -0.6 . . . . 0.0 112.007 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.274 0.0 OUTLIER 40.87 35.69 0.36 Allowed 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 127.181 2.192 . . . . 0.0 114.624 -179.471 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 37.5 tp . . . . . 0 CA--C 1.542 0.666 0 C-N-CA 125.82 1.648 . . . . 0.0 114.029 -164.249 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.293 0 N-CA-C 115.359 0.904 . . . . 0.0 115.359 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.55 -32.62 73.61 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 118.552 1.176 . . . . 0.0 113.608 178.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.1 m -146.49 13.47 1.21 Allowed 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 -171.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -166.58 178.12 41.13 Favored Glycine 0 CA--C 1.542 1.746 0 N-CA-C 116.542 1.377 . . . . 0.0 116.542 -170.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -66.68 134.18 34.33 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 124.66 3.574 . . . . 0.0 113.155 -171.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -156.61 17.7 0.32 Allowed 'General case' 0 CA--C 1.551 0.981 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 -172.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.1 mmtm -133.2 32.96 3.66 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 124.772 1.229 . . . . 0.0 113.556 -169.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -137.14 165.34 26.31 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 126.929 2.091 . . . . 0.0 109.377 165.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -144.17 164.52 30.46 Favored 'General case' 0 CA--C 1.56 1.357 0 C-N-CA 124.48 1.112 . . . . 0.0 112.05 176.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 60.9 m -57.16 151.12 16.08 Favored 'General case' 0 N--CA 1.517 2.916 0 C-N-CA 125.708 1.603 . . . . 0.0 111.967 178.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 62.1 mmt-85 -145.81 172.39 13.39 Favored 'General case' 0 N--CA 1.53 3.547 0 C-N-CA 125.735 1.614 . . . . 0.0 110.042 -178.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -167.66 173.86 42.69 Favored Glycine 0 CA--C 1.541 1.715 0 C-N-CA 125.342 1.449 . . . . 0.0 113.099 175.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -133.48 8.3 3.92 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 125.451 1.5 . . . . 0.0 114.708 -171.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.479 0 N-CA-C 116.544 1.377 . . . . 0.0 116.544 -179.172 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.2 m . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 121.416 0.627 . . . . 0.0 112.015 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 19.8 t80 46.39 38.26 5.1 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.379 1.872 . . . . 0.0 114.059 -167.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 57.37 21.86 7.26 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.461 1.904 . . . . 0.0 116.124 167.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.3 m -52.78 -32.92 18.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 N-CA-C 114.556 1.317 . . . . 0.0 114.556 -175.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.5 -51.9 18.06 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.48 0.712 . . . . 0.0 112.183 172.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.1 tt -55.99 -43.57 77.77 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.775 1.23 . . . . 0.0 111.476 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 49.3 m -65.36 -17.52 64.59 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.82 1.248 . . . . 0.0 113.939 178.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -124.58 -62.52 1.25 Allowed 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 114.036 1.125 . . . . 0.0 114.036 -171.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.3 m . . . . . 0 N--CA 1.484 1.243 0 CA-C-N 119.575 1.08 . . . . 0.0 113.555 178.653 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.8 m . . . . . 0 N--CA 1.483 1.185 0 N-CA-C 116.403 2.001 . . . . 0.0 116.403 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 53.02 33.96 15.99 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 125.355 1.462 . . . . 0.0 114.134 -174.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.8 p -51.55 -24.0 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 125.866 1.666 . . . . 0.0 115.082 -175.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.58 -27.01 15.03 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.189 1.396 . . . . 0.0 114.32 171.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 58.0 tp -55.87 -51.1 68.74 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.808 1.243 . . . . 0.0 112.098 171.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -74.64 -31.87 62.09 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.848 0.859 . . . . 0.0 111.824 -178.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.78 -52.03 65.89 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.399 0.68 . . . . 0.0 111.515 170.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -57.53 -39.84 77.49 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.168 -0.957 . . . . 0.0 111.714 173.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.49 1.55 3.0 Favored Glycine 0 CA--C 1.539 1.556 0 C-N-CA 125.8 1.667 . . . . 0.0 116.912 176.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.1 pp . . . . . 0 N--CA 1.473 0.684 0 CA-C-N 119.207 1.504 . . . . 0.0 114.392 170.123 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.54 0.562 0 CA-C-O 119.181 -0.438 . . . . 0.0 111.921 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.268 0.0 OUTLIER 41.21 35.44 0.4 Allowed 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 127.687 2.395 . . . . 0.0 115.751 176.792 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 30.6 tp . . . . . 0 CA--C 1.544 0.748 0 C-N-CA 125.667 1.587 . . . . 0.0 114.455 -171.548 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.075 0 N-CA-C 116.948 1.539 . . . . 0.0 116.948 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.93 -31.19 72.29 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 118.872 1.336 . . . . 0.0 113.825 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.7 m -146.18 17.92 1.38 Allowed 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 114.304 1.224 . . . . 0.0 114.304 -169.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -165.87 176.47 41.28 Favored Glycine 0 CA--C 1.54 1.643 0 O-C-N 120.793 -1.192 . . . . 0.0 115.471 -174.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -64.96 129.24 22.63 Favored 'Trans proline' 0 CA--C 1.538 0.689 0 C-N-CA 124.15 3.234 . . . . 0.0 112.171 -174.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -154.47 12.86 0.41 Allowed 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 115.333 1.605 . . . . 0.0 115.333 -170.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -130.66 34.75 4.08 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 125.325 1.45 . . . . 0.0 112.935 -172.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -134.85 161.64 34.64 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 126.807 2.043 . . . . 0.0 109.061 169.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -143.42 162.01 36.9 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.622 1.169 . . . . 0.0 110.902 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 38.0 m -58.43 141.72 50.68 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.348 1.059 . . . . 0.0 112.885 175.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -135.77 174.71 10.32 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 126.278 1.831 . . . . 0.0 111.539 -178.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -169.43 174.62 43.8 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 124.761 1.172 . . . . 0.0 113.584 174.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -131.11 11.07 5.01 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 125.566 1.546 . . . . 0.0 114.105 -175.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.463 0 C-N-CA 124.54 1.066 . . . . 0.0 115.002 -177.974 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 26.9 m . . . . . 0 N--CA 1.488 1.425 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 13.0 t80 47.2 34.67 3.15 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 126.195 1.798 . . . . 0.0 114.046 -170.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 55.49 25.23 7.59 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.948 2.099 . . . . 0.0 115.828 172.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 18.2 m -51.91 -38.08 22.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 N-CA-C 114.398 1.258 . . . . 0.0 114.398 -177.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.57 -46.5 66.25 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.435 0.694 . . . . 0.0 112.186 175.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 tt -56.57 -44.67 81.23 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.667 1.187 . . . . 0.0 110.745 177.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.6 m -67.8 -17.13 64.42 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.97 1.308 . . . . 0.0 114.067 177.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -120.81 -68.81 0.88 Allowed 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 119.695 1.134 . . . . 0.0 113.809 -171.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 18.0 m . . . . . 0 N--CA 1.483 1.224 0 CA-C-N 119.478 1.035 . . . . 0.0 113.591 178.777 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.8 m . . . . . 0 N--CA 1.483 1.177 0 N-CA-C 116.319 1.97 . . . . 0.0 116.319 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 56.59 31.03 18.38 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.037 1.735 . . . . 0.0 114.52 -176.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.5 p -51.45 -26.59 6.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 125.476 1.511 . . . . 0.0 114.781 -177.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.22 -29.01 57.12 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 114.09 1.144 . . . . 0.0 114.09 172.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.4 tp -64.83 -48.51 74.12 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.005 0.922 . . . . 0.0 111.89 173.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -69.62 -33.53 72.78 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.311 0.644 . . . . 0.0 112.088 177.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.33 -46.78 85.08 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.62 0.768 . . . . 0.0 112.0 170.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -58.27 -37.49 75.07 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 120.839 -1.163 . . . . 0.0 111.682 172.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.69 1.5 3.2 Favored Glycine 0 CA--C 1.539 1.556 0 C-N-CA 125.756 1.645 . . . . 0.0 116.698 173.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.1 pp . . . . . 0 N--CA 1.475 0.786 0 CA-C-N 119.49 1.645 . . . . 0.0 114.548 171.758 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.472 0.626 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.286 0.0 OUTLIER 40.27 38.42 0.54 Allowed 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 127.357 2.263 . . . . 0.0 115.252 -177.924 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.2 tp . . . . . 0 CA--C 1.544 0.732 0 C-N-CA 126.048 1.739 . . . . 0.0 114.355 -173.001 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.111 0 N-CA-C 117.702 1.841 . . . . 0.0 117.702 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.58 -23.21 67.19 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 119.473 1.637 . . . . 0.0 113.585 176.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.2 m -142.94 20.15 1.96 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.499 1.519 . . . . 0.0 113.592 -174.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -169.19 173.0 43.6 Favored Glycine 0 CA--C 1.542 1.771 0 O-C-N 120.905 -1.122 . . . . 0.0 115.882 -176.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -68.47 133.19 27.38 Favored 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 124.115 3.21 . . . . 0.0 112.17 -175.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -154.49 15.05 0.44 Allowed 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 -168.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.5 mmtm -129.22 31.25 4.89 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 125.012 1.325 . . . . 0.0 113.856 -168.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -136.14 164.61 27.65 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 126.076 1.75 . . . . 0.0 110.41 172.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -145.63 160.19 42.04 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.153 1.381 . . . . 0.0 111.049 177.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.9 m -63.41 148.22 49.1 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.25 1.02 . . . . 0.0 112.681 175.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -139.21 171.96 13.53 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 126.009 1.724 . . . . 0.0 112.518 -174.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -173.18 177.6 45.54 Favored Glycine 0 CA--C 1.538 1.527 0 C-N-CA 125.424 1.488 . . . . 0.0 113.427 175.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -131.95 9.47 4.53 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 125.781 1.633 . . . . 0.0 114.268 -175.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.339 0 C-N-CA 124.959 1.266 . . . . 0.0 114.705 -173.593 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 26.8 m . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 121.334 0.587 . . . . 0.0 111.985 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 17.3 t80 48.34 32.9 3.44 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.446 1.899 . . . . 0.0 114.136 -169.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 54.88 22.25 4.16 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 126.897 2.079 . . . . 0.0 115.652 173.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 32.8 m -57.94 -34.47 48.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 -175.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.66 -48.92 58.14 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.642 0.777 . . . . 0.0 111.976 175.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.1 tt -56.93 -44.05 82.1 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.071 0.948 . . . . 0.0 110.652 177.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.0 m -71.34 -3.84 22.87 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.443 1.497 . . . . 0.0 113.603 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -132.53 -68.15 0.62 Allowed 'General case' 0 CA--C 1.545 0.764 0 O-C-N 120.862 -1.149 . . . . 0.0 113.947 -177.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.5 m . . . . . 0 N--CA 1.482 1.157 0 CA-C-N 119.437 1.017 . . . . 0.0 113.708 -178.699 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.8 m . . . . . 0 N--CA 1.481 1.122 0 N-CA-C 115.775 1.768 . . . . 0.0 115.775 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 56.44 35.17 25.5 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.879 1.671 . . . . 0.0 114.551 -178.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.7 p -46.2 -33.48 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 125.672 1.589 . . . . 0.0 114.658 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.6 -33.75 68.53 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.448 1.099 . . . . 0.0 113.915 175.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.2 tp -64.07 -45.78 87.26 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.013 0.925 . . . . 0.0 111.42 175.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -72.55 -35.73 68.09 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.08 0.952 . . . . 0.0 112.169 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.49 -49.75 75.52 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.738 0.815 . . . . 0.0 111.681 170.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -56.59 -41.02 76.28 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.235 -0.916 . . . . 0.0 111.554 171.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.07 6.1 4.26 Favored Glycine 0 CA--C 1.538 1.488 0 C-N-CA 126.206 1.86 . . . . 0.0 116.978 176.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.4 pp . . . . . 0 N--CA 1.473 0.699 0 CA-C-N 119.375 1.588 . . . . 0.0 114.052 170.226 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.471 0.599 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.283 0.0 OUTLIER 40.77 42.3 1.4 Allowed 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 126.941 2.096 . . . . 0.0 114.466 -177.881 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 31.2 tp . . . . . 0 CA--C 1.544 0.725 0 C-N-CA 125.956 1.702 . . . . 0.0 114.17 -170.849 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.105 0 N-CA-C 118.441 2.136 . . . . 0.0 118.441 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.0 -21.13 66.38 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 119.611 1.706 . . . . 0.0 113.901 177.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.1 m -142.37 16.37 2.04 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.1 1.36 . . . . 0.0 114.09 -170.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -172.41 176.67 45.31 Favored Glycine 0 CA--C 1.541 1.718 0 O-C-N 120.858 -1.151 . . . . 0.0 115.547 -175.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -64.3 131.59 30.72 Favored 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 124.095 3.197 . . . . 0.0 112.183 -175.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -155.94 11.62 0.3 Allowed 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 115.612 1.708 . . . . 0.0 115.612 -169.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 41.1 mmtm -130.43 33.07 4.34 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 125.354 1.462 . . . . 0.0 113.063 -170.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -135.75 163.59 29.84 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 126.408 1.883 . . . . 0.0 109.929 171.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -143.82 159.55 42.33 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.229 1.412 . . . . 0.0 110.19 177.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.3 m -58.84 145.07 42.23 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.71 1.204 . . . . 0.0 113.039 177.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -136.98 170.38 16.2 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 126.189 1.796 . . . . 0.0 111.904 -177.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -174.21 -179.32 44.76 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 125.017 1.294 . . . . 0.0 113.298 177.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -130.23 15.69 5.61 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 125.697 1.599 . . . . 0.0 113.729 -175.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.411 0 N-CA-C 115.595 0.998 . . . . 0.0 115.595 178.835 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 25.6 m . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 121.937 0.875 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 10.9 t80 43.4 45.14 5.2 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 127.618 2.367 . . . . 0.0 115.11 -174.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 59.69 23.52 12.35 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 115.779 1.77 . . . . 0.0 115.779 163.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 18.0 m -55.54 -30.24 25.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 -175.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.62 -52.11 10.3 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 118.869 0.759 . . . . 0.0 112.222 174.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.4 tt -57.37 -43.31 83.45 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.413 1.085 . . . . 0.0 111.169 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.6 m -73.38 -2.42 22.18 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.278 1.431 . . . . 0.0 113.404 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -131.08 -70.89 0.58 Allowed 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.0 -1.062 . . . . 0.0 113.273 -177.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.6 m . . . . . 0 N--CA 1.482 1.168 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 -178.071 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 31.6 m . . . . . 0 N--CA 1.482 1.136 0 N-CA-C 116.103 1.89 . . . . 0.0 116.103 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 54.22 38.26 28.89 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.442 1.497 . . . . 0.0 114.099 -174.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.6 p -44.51 -31.48 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 C-N-CA 126.992 2.117 . . . . 0.0 114.947 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.58 -35.91 61.35 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.502 1.121 . . . . 0.0 113.876 175.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.5 tp -63.92 -46.52 84.44 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.784 0.833 . . . . 0.0 111.915 175.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -73.02 -33.53 65.81 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.06 0.944 . . . . 0.0 112.201 -177.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.88 -51.59 63.85 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.68 0.792 . . . . 0.0 111.579 168.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -57.54 -36.64 71.89 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.165 -0.96 . . . . 0.0 112.319 175.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.69 0.79 2.82 Favored Glycine 0 CA--C 1.538 1.47 0 C-N-CA 125.964 1.745 . . . . 0.0 116.714 175.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.7 pp . . . . . 0 N--CA 1.473 0.725 0 CA-C-N 118.936 1.368 . . . . 0.0 114.283 168.993 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.471 0.6 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.268 0.0 OUTLIER 40.74 37.78 0.54 Allowed 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 127.368 2.267 . . . . 0.0 115.367 178.117 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.2 tp . . . . . 0 CA--C 1.545 0.761 0 C-N-CA 125.623 1.569 . . . . 0.0 114.384 -170.233 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.151 0 N-CA-C 116.718 1.447 . . . . 0.0 116.718 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.23 -24.55 67.71 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 118.887 1.344 . . . . 0.0 114.042 179.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.1 m -142.01 16.14 2.1 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.281 1.432 . . . . 0.0 114.113 -174.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -171.72 175.66 45.08 Favored Glycine 0 CA--C 1.54 1.639 0 N-CA-C 116.297 1.279 . . . . 0.0 116.297 -176.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -65.87 137.78 50.48 Favored 'Trans proline' 0 CA--C 1.538 0.695 0 C-N-CA 124.316 3.344 . . . . 0.0 112.504 -175.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -156.71 15.91 0.3 Allowed 'General case' 0 CA--C 1.553 1.072 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -169.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -127.14 24.95 6.28 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 125.314 1.445 . . . . 0.0 113.974 -166.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -136.53 165.57 25.55 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.566 1.946 . . . . 0.0 109.719 171.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -141.47 162.76 34.7 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.098 1.359 . . . . 0.0 110.671 176.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 38.3 m -59.15 144.86 44.51 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.665 1.186 . . . . 0.0 113.473 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 32.9 mmt180 -138.52 175.4 9.6 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 126.446 1.899 . . . . 0.0 112.001 -176.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -164.36 176.4 40.28 Favored Glycine 0 CA--C 1.537 1.406 0 C-N-CA 125.854 1.692 . . . . 0.0 112.385 174.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -130.01 19.81 5.45 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 124.803 1.241 . . . . 0.0 113.803 -172.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.496 0 C-N-CA 124.39 0.995 . . . . 0.0 115.445 179.378 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.7 m . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 121.38 0.61 . . . . 0.0 111.824 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . 0.253 2.5 t80 40.75 44.05 1.79 Allowed 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 127.964 2.506 . . . . 0.0 115.313 -171.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 62.11 22.57 13.21 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 115.853 1.797 . . . . 0.0 115.853 163.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 15.9 m -51.56 -29.73 10.23 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 N-CA-C 115.457 1.651 . . . . 0.0 115.457 -176.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -89.55 -46.69 8.49 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.645 0.778 . . . . 0.0 112.617 174.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.2 tt -57.25 -47.44 81.37 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.447 1.099 . . . . 0.0 111.232 -177.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.3 m -69.72 -9.17 53.42 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.253 1.421 . . . . 0.0 113.617 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -126.29 -73.56 0.62 Allowed 'General case' 0 CA--C 1.543 0.709 0 O-C-N 120.972 -1.08 . . . . 0.0 113.299 -172.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 29.0 m . . . . . 0 N--CA 1.482 1.146 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -177.816 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 32.0 m . . . . . 0 N--CA 1.481 1.115 0 N-CA-C 116.053 1.872 . . . . 0.0 116.053 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 53.44 38.17 27.34 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.353 1.461 . . . . 0.0 113.873 -174.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.6 p -45.56 -32.11 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 C-N-CA 126.236 1.814 . . . . 0.0 114.767 -178.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.52 -31.95 57.2 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.919 1.288 . . . . 0.0 114.336 175.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.2 tp -61.4 -52.19 65.63 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.279 1.032 . . . . 0.0 111.537 175.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -71.9 -33.84 68.65 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.245 1.018 . . . . 0.0 111.921 -178.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.58 -50.72 70.17 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.752 0.821 . . . . 0.0 111.895 170.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -59.5 -36.36 75.92 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 120.899 -1.125 . . . . 0.0 111.674 174.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.73 2.36 2.64 Favored Glycine 0 CA--C 1.538 1.5 0 C-N-CA 125.854 1.692 . . . . 0.0 116.91 173.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.3 pp . . . . . 0 N--CA 1.473 0.72 0 CA-C-N 119.247 1.524 . . . . 0.0 114.481 170.182 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.469 0.508 0 CA-C-O 118.805 -0.617 . . . . 0.0 112.635 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.282 0.0 OUTLIER 40.8 40.42 0.97 Allowed 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 126.967 2.107 . . . . 0.0 114.625 179.548 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.3 tp . . . . . 0 CA--C 1.542 0.667 0 C-N-CA 126.492 1.917 . . . . 0.0 114.143 -171.564 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.143 0 N-CA-C 117.524 1.77 . . . . 0.0 117.524 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.12 -26.99 69.08 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 119.274 1.537 . . . . 0.0 113.82 178.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.8 m -145.96 20.97 1.44 Allowed 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.054 1.341 . . . . 0.0 113.464 -174.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -167.09 173.37 42.33 Favored Glycine 0 CA--C 1.541 1.667 0 N-CA-C 116.083 1.193 . . . . 0.0 116.083 -175.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -65.94 134.01 35.67 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 124.209 3.273 . . . . 0.0 112.221 -174.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -156.59 8.97 0.21 Allowed 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 -174.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.3 mmtt -115.14 23.63 12.34 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 125.209 1.404 . . . . 0.0 113.739 -168.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -136.37 162.38 33.18 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 126.582 1.953 . . . . 0.0 110.159 177.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -143.45 164.68 29.63 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.113 1.365 . . . . 0.0 111.024 176.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 68.3 m -64.82 144.49 57.22 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.805 0.842 . . . . 0.0 112.248 174.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -138.75 176.66 8.5 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 126.511 1.924 . . . . 0.0 111.587 -176.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.32 176.19 41.62 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 124.936 1.255 . . . . 0.0 113.632 175.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -130.16 5.4 4.88 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 125.675 1.59 . . . . 0.0 114.628 -174.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.421 0 C-N-CA 124.195 0.902 . . . . 0.0 115.079 -177.228 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.6 m . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 121.27 0.557 . . . . 0.0 112.032 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.3 t80 41.46 44.08 2.38 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 127.103 2.161 . . . . 0.0 114.636 -168.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 62.43 21.71 12.76 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 115.91 1.818 . . . . 0.0 115.91 163.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 18.0 m -52.57 -23.74 5.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 -179.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -102.21 -45.35 5.16 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.379 1.072 . . . . 0.0 112.762 173.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 tt -59.09 -44.19 91.91 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.906 0.882 . . . . 0.0 111.718 -177.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.3 m -70.93 -13.29 61.96 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.138 -0.976 . . . . 0.0 113.311 177.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -119.53 -72.04 0.71 Allowed 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.348 1.059 . . . . 0.0 113.247 -169.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 19.5 m . . . . . 0 N--CA 1.482 1.138 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 179.381 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.1 m . . . . . 0 N--CA 1.484 1.263 0 N-CA-C 116.01 1.856 . . . . 0.0 116.01 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 54.63 37.76 28.72 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.912 1.685 . . . . 0.0 114.343 -174.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.2 p -46.68 -31.28 1.5 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 C-N-CA 126.134 1.774 . . . . 0.0 114.682 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.32 -30.2 50.4 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.872 1.269 . . . . 0.0 114.216 175.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 67.3 tp -61.16 -44.72 96.87 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.365 1.066 . . . . 0.0 112.042 173.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -79.61 -31.75 41.74 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.239 1.016 . . . . 0.0 111.785 -177.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.05 -51.3 68.54 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.388 0.675 . . . . 0.0 111.404 167.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -56.36 -38.45 71.42 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.075 -1.016 . . . . 0.0 111.738 171.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.22 -1.1 1.99 Allowed Glycine 0 CA--C 1.538 1.507 0 C-N-CA 126.18 1.848 . . . . 0.0 117.229 174.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 pp . . . . . 0 N--CA 1.474 0.768 0 CA-C-N 119.261 1.531 . . . . 0.0 114.341 170.254 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.47 0.53 0 CA-C-O 119.099 -0.477 . . . . 0.0 112.181 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.266 0.0 OUTLIER 42.12 34.82 0.51 Allowed 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 127.934 2.494 . . . . 0.0 115.518 176.073 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.3 tp . . . . . 0 CA--C 1.542 0.651 0 C-N-CA 125.152 1.381 . . . . 0.0 114.34 -168.846 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 117.03 1.572 . . . . 0.0 117.03 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.53 -22.89 56.78 Favored 'General case' 0 CA--C 1.552 1.04 0 CA-C-N 118.691 1.245 . . . . 0.0 113.239 168.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.1 m -142.72 25.46 1.81 Allowed 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.323 1.849 . . . . 0.0 112.524 179.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -167.61 175.36 42.6 Favored Glycine 0 CA--C 1.542 1.731 0 N-CA-C 116.406 1.323 . . . . 0.0 116.406 -172.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -67.47 127.78 17.09 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 124.417 3.411 . . . . 0.0 112.872 -172.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -154.25 9.1 0.35 Allowed 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 115.268 1.581 . . . . 0.0 115.268 -174.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -119.37 19.94 12.63 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 125.151 1.38 . . . . 0.0 113.777 -166.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -135.51 164.42 27.85 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 126.379 1.871 . . . . 0.0 110.794 178.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -141.37 164.41 30.32 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.751 1.62 . . . . 0.0 111.132 177.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 57.1 m -62.7 143.92 56.9 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.965 0.906 . . . . 0.0 112.319 175.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -138.33 171.81 13.83 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 126.326 1.85 . . . . 0.0 111.523 -178.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.39 178.63 40.81 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 124.849 1.214 . . . . 0.0 113.696 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -133.26 21.19 4.03 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 125.771 1.628 . . . . 0.0 113.693 -171.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.484 0 N-CA-C 115.636 1.014 . . . . 0.0 115.636 177.281 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.1 m . . . . . 0 N--CA 1.487 1.392 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 5.6 t80 46.78 37.11 4.38 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 125.915 1.686 . . . . 0.0 113.547 -168.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 55.39 24.37 6.58 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 127.292 2.237 . . . . 0.0 116.328 172.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 26.1 m -54.63 -36.41 35.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 -179.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.61 -50.6 24.23 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.446 0.699 . . . . 0.0 111.861 175.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.7 tt -56.58 -43.16 79.79 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.269 1.028 . . . . 0.0 111.069 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.8 m -67.49 -12.72 60.99 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.27 1.428 . . . . 0.0 113.595 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -126.27 -68.09 0.83 Allowed 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.319 1.048 . . . . 0.0 113.526 -173.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 31.0 m . . . . . 0 N--CA 1.483 1.209 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -179.349 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.1 m . . . . . 0 N--CA 1.482 1.148 0 N-CA-C 116.092 1.886 . . . . 0.0 116.092 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 57.08 32.29 21.42 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.972 1.709 . . . . 0.0 114.621 -176.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.2 p -47.19 -31.04 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 125.894 1.678 . . . . 0.0 114.743 -178.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.38 -34.33 66.57 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 176.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 62.6 tp -64.83 -49.01 72.29 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.895 0.878 . . . . 0.0 111.436 174.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -68.02 -36.32 79.74 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.443 1.097 . . . . 0.0 112.081 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.78 -52.17 61.48 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.362 1.065 . . . . 0.0 111.753 171.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -56.07 -37.17 68.95 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.086 -1.009 . . . . 0.0 111.971 176.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.81 0.38 3.28 Favored Glycine 0 CA--C 1.539 1.536 0 N-CA-C 117.214 1.646 . . . . 0.0 117.214 175.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 CA--C 1.546 0.815 0 CA-C-N 119.261 1.531 . . . . 0.0 114.905 171.317 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 N--CA 1.471 0.579 0 CA-C-O 118.935 -0.555 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.275 0.0 OUTLIER 41.23 34.53 0.33 Allowed 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 127.14 2.176 . . . . 0.0 115.006 -177.149 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.2 tp . . . . . 0 CA--C 1.546 0.823 0 C-N-CA 125.684 1.594 . . . . 0.0 113.848 -171.08 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.271 0 N-CA-C 117.277 1.671 . . . . 0.0 117.277 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.48 -17.6 63.63 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 119.328 1.564 . . . . 0.0 114.225 177.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.0 m -140.65 15.49 2.34 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.044 1.338 . . . . 0.0 113.638 -171.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -176.01 175.26 47.34 Favored Glycine 0 CA--C 1.538 1.508 0 O-C-N 121.087 -1.008 . . . . 0.0 114.876 -178.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -62.01 141.86 90.57 Favored 'Trans proline' 0 CA--C 1.537 0.646 0 C-N-CA 123.706 2.937 . . . . 0.0 112.2 -178.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -157.35 6.23 0.15 Allowed 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 -172.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -107.59 16.69 23.5 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 125.599 1.56 . . . . 0.0 113.546 -170.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -135.89 162.36 33.05 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 126.749 2.02 . . . . 0.0 110.471 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -140.51 156.92 46.18 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.546 1.539 . . . . 0.0 110.394 173.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 68.8 m -62.64 146.36 52.29 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.362 1.065 . . . . 0.0 113.147 -178.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -136.36 174.4 10.65 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 126.658 1.983 . . . . 0.0 111.487 -176.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -164.24 177.71 39.84 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 124.652 1.12 . . . . 0.0 113.843 178.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -132.33 16.9 4.49 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 125.813 1.645 . . . . 0.0 113.906 -172.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.362 0 N-CA-C 115.544 0.978 . . . . 0.0 115.544 177.398 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.2 m . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 121.761 0.791 . . . . 0.0 111.859 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 t80 49.89 31.3 4.52 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.846 2.058 . . . . 0.0 114.811 -173.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 55.32 26.81 9.06 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.994 2.118 . . . . 0.0 115.788 172.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.2 m -56.6 -35.78 46.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 -178.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.7 -49.08 64.54 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.475 0.71 . . . . 0.0 111.909 175.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.1 tt -56.65 -42.95 79.78 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.124 0.97 . . . . 0.0 110.609 175.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.5 m -63.34 -24.06 67.69 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.006 1.322 . . . . 0.0 113.653 178.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -121.42 -62.45 1.42 Allowed 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 -170.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.1 m . . . . . 0 N--CA 1.482 1.159 0 CA-C-N 119.377 0.989 . . . . 0.0 113.587 179.988 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.7 m . . . . . 0 N--CA 1.483 1.213 0 N-CA-C 115.977 1.843 . . . . 0.0 115.977 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 53.49 35.09 19.83 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.987 1.715 . . . . 0.0 114.392 -176.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.6 p -48.17 -30.63 2.72 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 125.901 1.68 . . . . 0.0 115.028 -176.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.03 -27.65 46.14 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.938 1.295 . . . . 0.0 114.423 175.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.1 tp -60.45 -50.93 71.61 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.478 1.111 . . . . 0.0 112.016 174.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -72.42 -32.53 66.42 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 123.889 0.875 . . . . 0.0 111.729 -178.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.17 -51.46 66.3 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.587 0.755 . . . . 0.0 111.808 171.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -56.29 -36.72 68.94 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 121.093 -1.004 . . . . 0.0 111.883 173.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.28 -0.81 1.89 Allowed Glycine 0 CA--C 1.537 1.459 0 C-N-CA 126.059 1.79 . . . . 0.0 117.229 173.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 N--CA 1.475 0.789 0 CA-C-N 119.332 1.566 . . . . 0.0 114.75 170.124 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.471 0.579 0 CA-C-O 118.988 -0.53 . . . . 0.0 112.271 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.263 0.0 OUTLIER 41.91 33.59 0.36 Allowed 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 127.188 2.195 . . . . 0.0 115.312 -179.81 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.4 tp . . . . . 0 CA--C 1.544 0.713 0 C-N-CA 126.061 1.744 . . . . 0.0 114.1 -171.536 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.152 0 N-CA-C 116.303 1.281 . . . . 0.0 116.303 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.48 -15.39 63.53 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-N 118.667 1.234 . . . . 0.0 113.958 175.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.0 m -139.24 3.86 2.19 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 -168.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 174.55 -173.95 46.32 Favored Glycine 0 CA--C 1.541 1.673 0 N-CA-C 116.404 1.322 . . . . 0.0 116.404 -177.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -44.6 127.35 7.75 Favored 'Trans proline' 0 C--N 1.353 0.776 1 C-N-CA 126.127 4.551 . . . . 0.0 115.411 -179.378 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -155.36 -1.58 0.15 Allowed 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 115.292 1.59 . . . . 0.0 115.292 -177.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -95.97 15.02 21.69 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 125.172 1.389 . . . . 0.0 114.194 -166.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -137.92 164.77 28.16 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.343 1.857 . . . . 0.0 111.231 -178.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -138.62 163.2 32.69 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.78 1.632 . . . . 0.0 110.234 175.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.1 m -64.35 142.96 58.23 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.913 0.885 . . . . 0.0 112.849 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -138.47 174.31 10.68 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 126.812 2.045 . . . . 0.0 111.302 -177.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -167.22 177.99 41.56 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 124.586 1.089 . . . . 0.0 113.832 177.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -130.16 11.22 5.46 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 125.91 1.684 . . . . 0.0 114.12 -174.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.477 0 N-CA-C 115.48 0.952 . . . . 0.0 115.48 178.405 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 33.8 m . . . . . 0 N--CA 1.488 1.441 0 CA-C-O 121.378 0.609 . . . . 0.0 112.297 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.3 t80 45.33 34.26 1.46 Allowed 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 127.187 2.195 . . . . 0.0 114.768 -171.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 58.17 16.68 4.05 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 127.327 2.251 . . . . 0.0 116.244 172.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.4 m -55.18 -36.39 39.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 N-CA-C 114.236 1.198 . . . . 0.0 114.236 -173.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.47 -44.57 70.92 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.597 0.759 . . . . 0.0 112.242 175.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 tt -58.76 -44.13 90.5 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.155 0.982 . . . . 0.0 110.756 177.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.7 m -66.69 -15.19 63.33 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.092 1.357 . . . . 0.0 113.973 177.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -125.14 -68.87 0.82 Allowed 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.074 1.138 . . . . 0.0 114.074 -171.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.4 m . . . . . 0 N--CA 1.482 1.145 0 CA-C-N 119.557 1.071 . . . . 0.0 113.73 179.934 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 29.8 m . . . . . 0 N--CA 1.482 1.145 0 N-CA-C 116.137 1.903 . . . . 0.0 116.137 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 57.01 31.8 20.55 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.834 1.653 . . . . 0.0 114.256 -175.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.0 p -48.96 -32.48 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 125.26 1.424 . . . . 0.0 114.075 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.48 -32.37 66.9 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 175.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 67.4 tp -65.58 -50.44 65.1 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.899 0.88 . . . . 0.0 111.173 175.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -69.95 -33.34 71.99 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.102 0.961 . . . . 0.0 112.206 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.14 -50.76 69.17 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.138 0.975 . . . . 0.0 111.731 169.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -56.54 -37.17 70.14 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.649 1.113 . . . . 0.0 111.846 173.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.75 1.98 2.15 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 125.798 1.666 . . . . 0.0 117.087 174.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.6 pp . . . . . 0 CA--C 1.543 0.682 0 CA-C-N 119.189 1.494 . . . . 0.0 114.285 169.085 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.468 0.449 0 CA-C-O 118.618 -0.706 . . . . 0.0 112.428 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.258 0.0 OUTLIER 40.82 35.02 0.3 Allowed 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 127.234 2.214 . . . . 0.0 114.935 -179.869 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.2 tp . . . . . 0 CA--C 1.546 0.804 0 C-N-CA 125.572 1.549 . . . . 0.0 113.957 -167.216 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.275 0 N-CA-C 116.512 1.365 . . . . 0.0 116.512 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.05 -16.15 63.1 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 118.942 1.371 . . . . 0.0 114.08 175.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.8 m -140.59 10.75 2.27 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.885 1.274 . . . . 0.0 114.266 -169.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -178.76 178.97 48.88 Favored Glycine 0 CA--C 1.539 1.543 0 N-CA-C 115.506 0.962 . . . . 0.0 115.506 -176.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -63.4 141.31 80.69 Favored 'Trans proline' 0 CA--C 1.538 0.699 0 C-N-CA 124.183 3.256 . . . . 0.0 112.267 -178.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -157.04 7.09 0.16 Allowed 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 -168.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -104.45 9.11 35.74 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 114.804 1.409 . . . . 0.0 114.804 -164.204 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -137.57 168.21 20.12 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 126.285 1.834 . . . . 0.0 111.029 -176.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -141.85 158.55 43.66 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.222 1.409 . . . . 0.0 111.474 176.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 27.1 m -56.5 145.58 27.45 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.831 1.253 . . . . 0.0 113.218 175.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -139.14 174.6 10.34 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 126.498 1.919 . . . . 0.0 111.495 178.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -164.16 175.14 40.29 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 124.783 1.182 . . . . 0.0 113.496 177.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -130.99 4.93 4.5 Favored 'General case' 0 N--CA 1.483 1.225 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 -171.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.467 0 N-CA-C 116.476 1.35 . . . . 0.0 116.476 -179.98 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.8 m . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 121.244 0.545 . . . . 0.0 111.913 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 18.7 t80 47.45 35.74 4.41 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 126.222 1.809 . . . . 0.0 114.02 -170.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 56.89 18.72 4.03 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 126.907 2.083 . . . . 0.0 115.998 172.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.8 m -52.26 -35.91 20.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 N-CA-C 115.232 1.567 . . . . 0.0 115.232 -170.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.05 -46.17 62.5 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.918 0.781 . . . . 0.0 112.306 175.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.5 tt -57.6 -45.94 84.68 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.514 1.125 . . . . 0.0 110.678 177.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.1 m -69.65 -6.91 34.59 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.063 1.345 . . . . 0.0 113.883 178.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -128.45 -71.32 0.65 Allowed 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 119.74 1.154 . . . . 0.0 113.837 -175.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 17.4 m . . . . . 0 N--CA 1.483 1.217 0 CA-C-N 119.565 1.075 . . . . 0.0 113.709 -179.564 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.2 m . . . . . 0 N--CA 1.481 1.12 0 N-CA-C 115.942 1.83 . . . . 0.0 115.942 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 55.51 37.05 28.36 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.59 1.556 . . . . 0.0 114.315 -176.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.9 p -45.22 -30.83 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 126.392 1.877 . . . . 0.0 114.906 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.9 -35.57 61.76 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.849 1.26 . . . . 0.0 114.33 175.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 51.4 tp -63.0 -50.45 70.69 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.097 0.959 . . . . 0.0 111.522 175.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -71.58 -28.38 63.79 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.067 0.947 . . . . 0.0 112.205 -176.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.41 -52.97 26.96 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.88 0.872 . . . . 0.0 112.139 166.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -55.47 -37.55 67.92 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 120.924 -1.11 . . . . 0.0 112.528 178.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.27 2.48 3.04 Favored Glycine 0 CA--C 1.539 1.574 0 N-CA-C 116.633 1.413 . . . . 0.0 116.633 176.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.8 pp . . . . . 0 CA--C 1.542 0.663 0 CA-C-N 118.91 1.355 . . . . 0.0 113.878 168.175 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 . . . . . 0 N--CA 1.469 0.477 0 CA-C-O 118.963 -0.541 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.263 0.0 OUTLIER 41.46 28.81 0.08 Allowed 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 126.563 1.945 . . . . 0.0 115.522 -174.252 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 34.7 tp . . . . . 0 CA--C 1.546 0.791 0 C-N-CA 126.693 1.997 . . . . 0.0 113.458 -174.895 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.27 0 N-CA-C 116.524 1.369 . . . . 0.0 116.524 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.11 -14.59 63.09 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-N 118.99 1.395 . . . . 0.0 113.991 175.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.5 m -140.44 12.71 2.35 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.149 1.38 . . . . 0.0 114.069 -171.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -176.48 176.8 47.94 Favored Glycine 0 CA--C 1.541 1.677 0 O-C-N 120.969 -1.082 . . . . 0.0 115.175 -178.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -59.78 144.79 99.38 Favored 'Trans proline' 0 CA--C 1.538 0.707 0 C-N-CA 123.365 2.71 . . . . 0.0 111.749 178.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -157.35 14.74 0.25 Allowed 'General case' 0 CA--C 1.551 1.004 0 N-CA-C 114.997 1.481 . . . . 0.0 114.997 -171.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -120.09 20.32 12.11 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 125.126 1.37 . . . . 0.0 114.268 -166.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -138.54 167.15 22.55 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 126.698 1.999 . . . . 0.0 110.565 175.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -142.06 155.62 45.39 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.472 1.509 . . . . 0.0 110.733 177.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.2 m -56.61 146.27 25.81 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.493 1.517 . . . . 0.0 114.076 -178.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -139.3 174.0 10.97 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 126.197 1.799 . . . . 0.0 112.459 -176.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.03 179.53 41.19 Favored Glycine 0 CA--C 1.539 1.556 0 C-N-CA 125.89 1.71 . . . . 0.0 112.686 175.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -129.43 11.85 5.88 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 125.281 1.432 . . . . 0.0 114.552 -174.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.461 0 N-CA-C 116.246 1.258 . . . . 0.0 116.246 178.591 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 31.7 m . . . . . 0 N--CA 1.489 1.48 0 CA-C-O 121.387 0.613 . . . . 0.0 111.87 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 47.9 32.64 2.86 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 126.256 1.822 . . . . 0.0 114.393 -171.545 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 56.72 21.33 5.81 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 127.141 2.176 . . . . 0.0 115.964 177.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 29.6 m -59.47 -32.96 49.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 O-C-N 120.751 -1.218 . . . . 0.0 113.179 178.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.74 -47.95 73.55 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.686 0.794 . . . . 0.0 111.951 174.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.0 tt -56.69 -44.34 81.38 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.944 0.898 . . . . 0.0 110.273 173.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.1 m -63.56 -21.77 66.53 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.114 1.366 . . . . 0.0 113.8 179.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -123.42 -65.23 1.1 Allowed 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 -170.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.9 m . . . . . 0 N--CA 1.483 1.22 0 CA-C-N 119.54 1.063 . . . . 0.0 113.683 -179.391 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.4 m . . . . . 0 N--CA 1.481 1.109 0 N-CA-C 115.663 1.727 . . . . 0.0 115.663 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 54.54 37.95 28.89 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.94 1.696 . . . . 0.0 114.354 -176.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.2 p -45.86 -33.07 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 C-N-CA 125.688 1.595 . . . . 0.0 114.804 -179.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.38 -29.31 63.96 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 114.337 1.236 . . . . 0.0 114.337 175.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.1 tp -61.97 -51.11 69.39 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.65 1.18 . . . . 0.0 111.355 174.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -70.34 -34.43 72.66 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.105 0.962 . . . . 0.0 111.959 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.75 -51.23 69.18 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.473 0.709 . . . . 0.0 111.74 171.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -57.1 -37.33 71.78 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.048 -1.033 . . . . 0.0 111.847 173.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.86 0.61 4.11 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 125.518 1.532 . . . . 0.0 116.91 175.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 pp . . . . . 0 CA--C 1.546 0.826 0 CA-C-N 119.273 1.536 . . . . 0.0 114.834 171.085 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.469 0.522 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.275 0.0 OUTLIER 40.84 34.41 0.27 Allowed 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 127.272 2.229 . . . . 0.0 115.372 -179.053 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 33.6 tp . . . . . 0 CA--C 1.544 0.737 0 C-N-CA 126.106 1.762 . . . . 0.0 113.997 -172.642 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.261 0 N-CA-C 117.152 1.621 . . . . 0.0 117.152 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.41 -21.42 64.68 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 119.085 1.442 . . . . 0.0 113.969 177.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.5 m -144.35 14.99 1.64 Allowed 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.811 1.244 . . . . 0.0 114.309 -169.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -171.62 176.3 44.85 Favored Glycine 0 CA--C 1.54 1.595 0 O-C-N 120.916 -1.115 . . . . 0.0 115.305 -176.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -64.59 135.04 43.69 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 123.897 3.065 . . . . 0.0 111.957 -175.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -155.44 11.09 0.32 Allowed 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 -174.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -110.16 17.98 20.43 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 125.295 1.438 . . . . 0.0 113.725 -167.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -136.31 165.28 26.14 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 126.967 2.107 . . . . 0.0 110.339 177.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -141.32 160.44 40.11 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.278 1.431 . . . . 0.0 110.418 175.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 67.6 m -63.98 143.94 57.48 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.281 1.032 . . . . 0.0 112.682 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 -135.16 173.88 11.23 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 126.52 1.928 . . . . 0.0 111.393 -176.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.34 178.17 43.19 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 124.427 1.013 . . . . 0.0 113.936 177.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -130.76 13.12 5.34 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.878 1.671 . . . . 0.0 113.853 -175.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.38 0 C-N-CA 124.111 0.862 . . . . 0.0 115.214 176.858 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.4 m . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 121.72 0.771 . . . . 0.0 111.723 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.1 t80 46.9 31.99 1.68 Allowed 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 127.128 2.171 . . . . 0.0 114.902 -171.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 55.34 24.69 6.77 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 126.893 2.077 . . . . 0.0 115.694 174.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 31.2 m -57.89 -38.06 64.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -177.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.95 -42.63 69.52 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.472 0.709 . . . . 0.0 112.186 176.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.9 tt -58.57 -44.01 89.61 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.134 0.974 . . . . 0.0 110.43 175.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.5 m -65.05 -19.03 65.79 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.184 1.394 . . . . 0.0 113.535 177.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -118.93 -72.62 0.68 Allowed 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.283 1.033 . . . . 0.0 113.403 -171.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.2 m . . . . . 0 N--CA 1.482 1.171 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 -178.246 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.0 m . . . . . 0 N--CA 1.48 1.073 0 N-CA-C 115.829 1.789 . . . . 0.0 115.829 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 54.17 36.89 26.01 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.771 1.629 . . . . 0.0 113.939 -175.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.0 p -45.11 -33.75 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 126.067 1.747 . . . . 0.0 114.663 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.45 -31.94 64.45 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 114.269 1.211 . . . . 0.0 114.269 176.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.9 tp -61.16 -52.75 63.54 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.344 1.057 . . . . 0.0 111.247 175.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -70.13 -36.36 74.72 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.599 1.159 . . . . 0.0 111.996 -178.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.9 -49.94 70.7 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.984 0.914 . . . . 0.0 111.998 173.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -58.09 -36.9 73.52 Favored 'General case' 0 N--CA 1.471 0.625 0 O-C-N 121.022 -1.049 . . . . 0.0 111.501 173.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.52 1.67 2.14 Favored Glycine 0 CA--C 1.539 1.533 0 C-N-CA 125.855 1.693 . . . . 0.0 116.987 174.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.8 pp . . . . . 0 N--CA 1.473 0.7 0 CA-C-N 119.349 1.574 . . . . 0.0 114.424 168.784 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.469 0.516 0 CA-C-O 118.976 -0.535 . . . . 0.0 112.173 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.267 0.0 OUTLIER 41.23 36.33 0.48 Allowed 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 127.554 2.342 . . . . 0.0 114.89 179.562 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 23.8 tp . . . . . 0 CA--C 1.545 0.759 0 C-N-CA 125.379 1.472 . . . . 0.0 114.448 -166.045 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.197 0 N-CA-C 117.053 1.581 . . . . 0.0 117.053 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.65 -22.88 66.1 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 119.012 1.406 . . . . 0.0 113.992 178.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.1 m -145.17 14.05 1.45 Allowed 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.894 1.277 . . . . 0.0 114.256 -170.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -170.57 177.67 43.59 Favored Glycine 0 CA--C 1.54 1.621 0 O-C-N 120.822 -1.174 . . . . 0.0 115.752 -174.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -65.56 136.0 44.54 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 124.076 3.184 . . . . 0.0 112.5 -173.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -156.87 13.98 0.27 Allowed 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 -174.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -110.43 14.84 22.48 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 -163.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -136.94 167.04 22.24 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.414 1.886 . . . . 0.0 110.887 178.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -142.03 161.94 36.72 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.641 1.576 . . . . 0.0 110.471 174.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.4 m -58.91 145.83 39.91 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.604 1.162 . . . . 0.0 112.979 176.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -135.5 175.2 9.81 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 126.305 1.842 . . . . 0.0 111.938 -176.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -164.41 176.53 40.3 Favored Glycine 0 CA--C 1.537 1.446 0 C-N-CA 125.113 1.339 . . . . 0.0 113.847 178.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -133.5 9.68 4.0 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 125.509 1.524 . . . . 0.0 114.848 -171.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.566 0 N-CA-C 116.566 1.387 . . . . 0.0 116.566 -179.193 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.9 m . . . . . 0 N--CA 1.488 1.465 0 CA-C-O 121.403 0.62 . . . . 0.0 112.029 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER 44.78 33.17 0.92 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 127.357 2.263 . . . . 0.0 115.121 -171.397 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 58.19 19.63 6.34 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.958 2.103 . . . . 0.0 115.612 172.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 33.8 m -59.55 -35.31 58.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 O-C-N 121.128 -0.982 . . . . 0.0 113.601 -175.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.92 -48.76 65.06 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.467 0.707 . . . . 0.0 111.736 175.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.3 tt -56.33 -43.12 78.7 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.043 0.937 . . . . 0.0 110.482 174.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 35.9 m -63.53 -22.79 67.09 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.169 1.388 . . . . 0.0 113.758 178.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -122.31 -63.93 1.24 Allowed 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 -169.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.5 m . . . . . 0 N--CA 1.483 1.206 0 CA-C-N 119.445 1.02 . . . . 0.0 113.478 178.955 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.8 m . . . . . 0 N--CA 1.482 1.163 0 N-CA-C 115.896 1.813 . . . . 0.0 115.896 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 56.8 34.93 25.51 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.281 1.833 . . . . 0.0 114.61 -177.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.2 p -44.75 -34.81 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 C-N-CA 125.776 1.63 . . . . 0.0 114.903 -179.132 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.95 -34.25 69.72 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 177.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.5 tp -63.32 -46.33 87.17 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.08 0.952 . . . . 0.0 111.545 175.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -75.22 -32.76 61.25 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.049 0.94 . . . . 0.0 112.159 -177.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.63 -51.52 66.95 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.773 0.829 . . . . 0.0 111.444 167.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -58.1 -36.13 72.44 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.081 -1.012 . . . . 0.0 111.968 174.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.51 -0.9 2.94 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 126.302 1.906 . . . . 0.0 116.867 174.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.6 pp . . . . . 0 CA--C 1.542 0.66 0 CA-C-N 119.163 1.482 . . . . 0.0 114.277 169.775 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.469 0.523 0 CA-C-O 118.817 -0.611 . . . . 0.0 112.559 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.257 0.0 OUTLIER 40.82 36.83 0.44 Allowed 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 127.473 2.309 . . . . 0.0 114.93 178.228 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.4 tp . . . . . 0 CA--C 1.543 0.694 0 C-N-CA 125.271 1.429 . . . . 0.0 114.412 -164.765 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.207 0 N-CA-C 116.843 1.497 . . . . 0.0 116.843 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.31 -24.41 67.27 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 119.077 1.438 . . . . 0.0 113.829 177.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.0 m -145.1 16.69 1.55 Allowed 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.058 1.343 . . . . 0.0 113.932 -172.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -170.38 175.68 44.22 Favored Glycine 0 CA--C 1.542 1.732 0 N-CA-C 116.181 1.232 . . . . 0.0 116.181 -175.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -65.9 135.07 39.69 Favored 'Trans proline' 0 CA--C 1.54 0.791 0 C-N-CA 124.424 3.416 . . . . 0.0 112.698 -174.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -154.33 4.56 0.26 Allowed 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 115.691 1.737 . . . . 0.0 115.691 -170.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -106.66 14.79 26.5 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.875 1.27 . . . . 0.0 114.381 -167.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -135.59 162.06 33.77 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 126.113 1.765 . . . . 0.0 111.537 -176.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -144.56 152.88 41.19 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.71 1.604 . . . . 0.0 110.889 175.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.8 m -55.05 148.65 13.35 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 126.371 1.868 . . . . 0.0 115.091 -176.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -138.02 176.37 8.76 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 127.028 2.131 . . . . 0.0 111.56 -178.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.36 -178.09 39.87 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 124.471 1.034 . . . . 0.0 114.148 179.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 -126.74 4.2 6.7 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 125.708 1.603 . . . . 0.0 114.955 -174.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.571 0 N-CA-C 116.215 1.246 . . . . 0.0 116.215 -179.626 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.7 m . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 121.783 0.801 . . . . 0.0 111.249 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.2 t80 38.87 37.13 0.18 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 128.447 2.699 . . . . 0.0 115.268 -167.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 57.72 18.28 4.69 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 126.645 1.978 . . . . 0.0 115.427 172.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 31.3 m -61.4 -36.56 73.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 O-C-N 121.014 -1.054 . . . . 0.0 113.389 -173.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.94 -45.75 69.96 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.582 0.753 . . . . 0.0 111.868 175.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.5 tt -56.12 -43.74 78.45 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.459 1.104 . . . . 0.0 110.538 174.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.8 m -66.14 -22.76 66.39 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.007 1.323 . . . . 0.0 113.709 178.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -119.66 -66.17 1.09 Allowed 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 -169.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.3 m . . . . . 0 N--CA 1.482 1.167 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 179.248 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.2 m . . . . . 0 N--CA 1.483 1.188 0 N-CA-C 116.146 1.906 . . . . 0.0 116.146 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 54.21 37.4 27.15 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.949 1.7 . . . . 0.0 114.423 -175.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.8 p -44.9 -35.36 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.215 0 C-N-CA 126.214 1.806 . . . . 0.0 114.804 -178.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.96 -26.78 64.74 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 114.578 1.325 . . . . 0.0 114.578 177.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.4 tp -64.98 -46.34 81.87 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.05 0.94 . . . . 0.0 111.851 176.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -70.71 -33.87 71.32 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.642 0.777 . . . . 0.0 111.627 178.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.88 -50.1 72.23 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.361 0.664 . . . . 0.0 111.807 170.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -55.59 -38.89 70.0 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 121.142 -0.974 . . . . 0.0 111.941 173.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.49 2.7 3.1 Favored Glycine 0 CA--C 1.536 1.398 0 N-CA-C 117.021 1.568 . . . . 0.0 117.021 176.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.6 pp . . . . . 0 CA--C 1.542 0.654 0 CA-C-N 119.088 1.444 . . . . 0.0 114.452 169.634 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.468 0.443 0 CA-C-O 119.081 -0.485 . . . . 0.0 112.092 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.273 0.0 OUTLIER 40.03 35.91 0.27 Allowed 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 127.496 2.318 . . . . 0.0 115.063 -179.459 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.3 tp . . . . . 0 CA--C 1.544 0.713 0 C-N-CA 125.883 1.673 . . . . 0.0 113.938 -170.74 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.219 0 N-CA-C 117.248 1.659 . . . . 0.0 117.248 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.2 -20.5 65.72 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-N 119.138 1.469 . . . . 0.0 113.911 177.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.0 m -143.01 16.13 1.92 Allowed 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.873 1.269 . . . . 0.0 114.004 -171.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -171.85 172.22 44.56 Favored Glycine 0 CA--C 1.541 1.7 0 O-C-N 120.914 -1.116 . . . . 0.0 115.467 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -56.3 138.01 82.03 Favored 'Trans proline' 0 CA--C 1.539 0.75 0 C-N-CA 124.318 3.345 . . . . 0.0 112.934 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -157.57 12.43 0.21 Allowed 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 115.246 1.573 . . . . 0.0 115.246 -171.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -116.17 16.98 15.89 Favored 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 114.81 1.411 . . . . 0.0 114.81 -163.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -136.6 170.55 15.88 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 126.058 1.743 . . . . 0.0 110.778 174.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -143.14 152.88 42.29 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.264 1.426 . . . . 0.0 110.693 175.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 41.9 m -53.33 146.6 11.87 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.678 1.591 . . . . 0.0 114.88 -177.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.3 mmt180 -138.19 176.89 8.3 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 126.845 2.058 . . . . 0.0 111.49 -178.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -164.55 178.21 39.86 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 124.697 1.141 . . . . 0.0 113.778 177.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -131.04 14.29 5.21 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 125.753 1.621 . . . . 0.0 114.108 -173.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.494 0 N-CA-C 115.404 0.922 . . . . 0.0 115.404 177.291 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 26.8 m . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 121.827 0.822 . . . . 0.0 111.374 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 8.9 t80 41.38 39.47 1.03 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 127.878 2.471 . . . . 0.0 115.002 -169.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 59.21 19.55 7.6 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.259 1.824 . . . . 0.0 115.759 167.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.5 m -57.61 -36.72 55.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -174.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.1 -48.59 42.8 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.471 0.708 . . . . 0.0 111.94 174.132 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.4 tt -55.85 -40.59 73.11 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.638 1.175 . . . . 0.0 111.243 178.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.4 m -69.83 -14.6 62.83 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.227 1.411 . . . . 0.0 113.626 178.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -125.61 -57.28 1.46 Allowed 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 -169.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.3 m . . . . . 0 N--CA 1.482 1.149 0 CA-C-N 119.356 0.98 . . . . 0.0 113.323 176.801 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 30.8 m . . . . . 0 N--CA 1.483 1.225 0 N-CA-C 115.918 1.822 . . . . 0.0 115.918 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 55.16 39.01 31.31 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.811 1.644 . . . . 0.0 114.56 -177.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.4 p -44.57 -32.17 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 C-N-CA 126.4 1.88 . . . . 0.0 114.822 177.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.3 -35.25 62.43 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.689 1.196 . . . . 0.0 114.075 175.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.6 tp -62.27 -49.53 75.32 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.95 0.9 . . . . 0.0 111.592 175.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -72.15 -32.07 66.56 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.913 0.885 . . . . 0.0 112.134 -176.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.98 -53.81 40.33 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.705 0.802 . . . . 0.0 111.803 168.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -56.59 -37.35 70.5 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 121.245 -0.909 . . . . 0.0 112.252 176.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.8 1.38 3.37 Favored Glycine 0 CA--C 1.539 1.536 0 C-N-CA 126.003 1.763 . . . . 0.0 116.785 177.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 pp . . . . . 0 CA--C 1.543 0.675 0 CA-C-N 118.822 1.311 . . . . 0.0 114.076 167.927 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.47 0.567 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.273 0.0 OUTLIER 41.1 35.83 0.41 Allowed 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 127.818 2.447 . . . . 0.0 115.468 176.485 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 37.9 tp . . . . . 0 CA--C 1.544 0.749 0 C-N-CA 125.819 1.648 . . . . 0.0 114.407 -170.609 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.183 0 N-CA-C 117.027 1.571 . . . . 0.0 117.027 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.44 -12.98 62.11 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 118.986 1.393 . . . . 0.0 113.973 174.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.8 m -139.49 5.83 2.26 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 -169.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 178.66 179.75 48.56 Favored Glycine 0 CA--C 1.541 1.668 0 N-CA-C 116.106 1.202 . . . . 0.0 116.106 -179.065 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -51.53 131.79 38.2 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 124.934 3.756 . . . . 0.0 113.759 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -156.41 6.73 0.19 Allowed 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 115.043 1.497 . . . . 0.0 115.043 -175.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -112.71 21.66 15.33 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 125.133 1.373 . . . . 0.0 113.721 -167.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -136.13 164.67 27.51 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 126.728 2.011 . . . . 0.0 110.17 173.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -141.89 158.32 43.92 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.451 1.501 . . . . 0.0 110.509 175.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.4 m -56.46 148.34 19.53 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.953 1.301 . . . . 0.0 114.403 -177.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -138.2 170.99 15.07 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 126.345 1.858 . . . . 0.0 112.212 -177.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.48 179.58 40.36 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 125.692 1.615 . . . . 0.0 112.857 178.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -132.74 23.61 4.3 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 125.391 1.477 . . . . 0.0 113.707 -171.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.401 0 N-CA-C 115.711 1.044 . . . . 0.0 115.711 177.78 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.7 m . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 121.722 0.772 . . . . 0.0 111.662 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.3 t80 42.69 41.13 2.3 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 127.55 2.34 . . . . 0.0 115.127 -171.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 59.61 22.86 11.57 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 115.492 1.664 . . . . 0.0 115.492 163.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 20.5 m -54.87 -26.12 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 N-CA-C 115.418 1.636 . . . . 0.0 115.418 -172.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -88.53 -46.46 9.08 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.664 0.786 . . . . 0.0 112.553 171.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 tt -57.9 -45.15 86.89 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.444 1.098 . . . . 0.0 111.473 -178.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.1 m -71.19 -10.41 59.71 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.014 1.326 . . . . 0.0 113.498 178.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -124.3 -74.4 0.61 Allowed 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.029 -1.044 . . . . 0.0 113.256 -171.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 18.4 m . . . . . 0 N--CA 1.481 1.088 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 179.874 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.6 m . . . . . 0 N--CA 1.483 1.2 0 N-CA-C 115.816 1.784 . . . . 0.0 115.816 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 55.12 38.04 29.85 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.99 1.716 . . . . 0.0 114.262 -176.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.6 p -47.48 -30.81 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 125.748 1.619 . . . . 0.0 114.985 -177.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.2 -28.56 53.9 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.905 1.282 . . . . 0.0 114.26 174.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 67.6 tp -61.37 -45.88 92.52 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.434 1.093 . . . . 0.0 112.113 174.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -74.62 -31.7 62.08 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 123.483 0.713 . . . . 0.0 111.972 -178.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.78 -51.76 65.84 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.236 0.615 . . . . 0.0 111.478 168.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -56.78 -38.24 72.23 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.037 -1.04 . . . . 0.0 111.99 173.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.59 2.42 3.44 Favored Glycine 0 CA--C 1.538 1.479 0 C-N-CA 125.75 1.643 . . . . 0.0 116.854 176.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 CA--C 1.542 0.642 0 CA-C-N 118.957 1.379 . . . . 0.0 114.305 170.057 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.469 0.525 0 CA-C-O 119.371 -0.347 . . . . 0.0 111.522 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.27 0.0 OUTLIER 41.99 31.78 0.25 Allowed 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 127.746 2.418 . . . . 0.0 115.506 -179.757 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.3 tp . . . . . 0 CA--C 1.543 0.691 0 C-N-CA 126.312 1.845 . . . . 0.0 114.233 -171.39 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.207 0 N-CA-C 116.174 1.23 . . . . 0.0 116.174 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.68 -24.52 67.6 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 118.636 1.218 . . . . 0.0 113.897 178.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.2 m -145.23 13.22 1.41 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.821 1.248 . . . . 0.0 114.215 -171.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -171.35 179.07 43.37 Favored Glycine 0 CA--C 1.54 1.607 0 N-CA-C 116.457 1.343 . . . . 0.0 116.457 -172.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -64.47 135.97 48.43 Favored 'Trans proline' 0 CA--C 1.537 0.646 0 C-N-CA 124.483 3.455 . . . . 0.0 112.594 -173.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -156.87 11.36 0.23 Allowed 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 -174.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -119.37 27.65 8.67 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 125.297 1.439 . . . . 0.0 113.711 -166.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 57.4 mttp -138.22 164.02 30.25 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 127.306 2.242 . . . . 0.0 109.88 174.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -143.09 151.9 41.25 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.093 1.357 . . . . 0.0 110.23 174.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.8 m -55.56 147.04 18.84 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 125.504 1.522 . . . . 0.0 114.493 -177.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 -138.5 173.16 11.89 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 126.062 1.745 . . . . 0.0 112.756 -175.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -164.61 179.51 39.3 Favored Glycine 0 CA--C 1.538 1.52 0 C-N-CA 126.22 1.867 . . . . 0.0 112.514 176.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -129.23 8.08 5.51 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 114.997 1.48 . . . . 0.0 114.997 -171.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.405 0 N-CA-C 116.078 1.191 . . . . 0.0 116.078 177.835 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.0 m . . . . . 0 N--CA 1.487 1.39 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 26.3 t80 48.09 36.14 6.1 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 126.19 1.796 . . . . 0.0 114.257 -169.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 54.29 30.67 12.87 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 126.14 1.776 . . . . 0.0 115.683 167.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 24.0 m -58.33 -5.2 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.225 0 N-CA-C 116.519 2.044 . . . . 0.0 116.519 -177.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -118.43 -35.63 3.72 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.84 1.256 . . . . 0.0 113.422 171.158 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.9 tt -67.88 -48.1 67.01 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.293 1.037 . . . . 0.0 111.027 176.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 38.1 m -69.44 -24.34 63.8 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 121.085 -1.009 . . . . 0.0 112.772 176.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -104.71 -69.88 0.79 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.838 0.855 . . . . 0.0 113.253 -171.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.481 1.116 0 O-C-N 121.185 -0.947 . . . . 0.0 112.082 -174.529 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.7 m . . . . . 0 N--CA 1.481 1.105 0 N-CA-C 115.505 1.668 . . . . 0.0 115.505 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 56.95 43.17 25.11 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.668 1.587 . . . . 0.0 113.932 -177.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.8 p -43.32 -32.57 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 126.03 1.732 . . . . 0.0 114.139 173.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.18 -34.71 64.08 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.83 1.252 . . . . 0.0 114.23 175.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.1 tp -65.84 -49.09 69.43 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.704 1.138 . . . . 0.0 111.572 176.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -66.39 -37.55 85.51 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.034 0.934 . . . . 0.0 111.867 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.68 -53.06 53.39 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.967 0.907 . . . . 0.0 112.09 172.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -56.28 -35.86 67.96 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.078 -1.014 . . . . 0.0 112.242 176.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.63 -0.78 2.96 Favored Glycine 0 CA--C 1.538 1.471 0 N-CA-C 117.084 1.594 . . . . 0.0 117.084 174.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 pp . . . . . 0 N--CA 1.472 0.631 0 CA-C-N 119.042 1.421 . . . . 0.0 114.355 168.292 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 . . . . . 0 N--CA 1.472 0.644 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.282 0.0 OUTLIER 41.5 32.89 0.25 Allowed 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 127.404 2.281 . . . . 0.0 115.458 -175.76 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 35.5 tp . . . . . 0 CA--C 1.545 0.781 0 C-N-CA 125.955 1.702 . . . . 0.0 113.686 -175.53 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.295 0 N-CA-C 117.295 1.678 . . . . 0.0 117.295 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.41 -15.82 63.61 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 119.1 1.45 . . . . 0.0 114.403 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.0 m -147.27 22.96 1.18 Allowed 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.534 1.534 . . . . 0.0 113.384 -178.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -172.09 172.18 44.62 Favored Glycine 0 CA--C 1.539 1.59 0 O-C-N 120.879 -1.138 . . . . 0.0 115.228 179.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -53.83 139.87 68.43 Favored 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 124.307 3.338 . . . . 0.0 113.276 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -157.2 11.69 0.22 Allowed 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 114.467 1.284 . . . . 0.0 114.467 -174.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -122.25 21.32 10.41 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 125.622 1.569 . . . . 0.0 113.532 -166.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -133.96 166.59 22.34 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 127.192 2.197 . . . . 0.0 110.313 173.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -141.81 162.52 35.28 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.822 1.249 . . . . 0.0 110.807 179.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 45.0 m -62.06 144.32 55.39 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.814 0.846 . . . . 0.0 112.403 173.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -138.47 172.71 12.49 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 126.447 1.899 . . . . 0.0 111.215 -179.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -165.33 177.63 40.61 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 124.628 1.109 . . . . 0.0 113.705 179.232 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -131.45 11.48 4.91 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 125.499 1.52 . . . . 0.0 114.134 -171.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.638 0 N-CA-C 115.48 0.952 . . . . 0.0 115.48 178.601 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 13.3 m . . . . . 0 N--CA 1.493 1.686 0 N-CA-C 111.501 0.186 . . . . 0.0 111.501 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.6 m -133.25 18.98 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 C-N-CA 125.565 1.546 . . . . 0.0 112.269 175.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 11.7 t80 44.53 36.32 1.66 Allowed 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 126.527 1.931 . . . . 0.0 114.144 -167.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 56.27 20.46 4.61 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 127.129 2.172 . . . . 0.0 116.17 173.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.1 m -52.73 -36.51 23.14 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 N-CA-C 114.622 1.341 . . . . 0.0 114.622 -174.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.68 -47.07 56.68 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.313 0.645 . . . . 0.0 112.17 174.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 tt -58.26 -43.54 87.93 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.427 1.091 . . . . 0.0 111.185 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.4 m -65.47 -16.88 64.1 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.724 1.209 . . . . 0.0 113.843 177.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -120.16 -68.91 0.88 Allowed 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.225 1.01 . . . . 0.0 113.574 -171.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 16.7 m -76.03 -9.0 12.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.4 m 40.89 37.59 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 127.588 2.355 . . . . 0.0 116.21 172.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 56.27 30.89 17.5 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 126.005 1.722 . . . . 0.0 114.832 -177.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.9 p -50.65 -25.17 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 126.13 1.772 . . . . 0.0 115.188 -178.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.91 -30.08 44.75 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.53 1.132 . . . . 0.0 113.938 173.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.9 tp -62.29 -46.96 86.42 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.993 0.917 . . . . 0.0 112.029 173.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -70.72 -34.1 71.55 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.707 0.803 . . . . 0.0 111.923 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.04 -51.71 66.9 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.398 0.679 . . . . 0.0 111.686 170.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -57.15 -38.29 73.32 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.174 -0.954 . . . . 0.0 112.042 174.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.24 -0.55 4.59 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 125.78 1.657 . . . . 0.0 116.744 176.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.6 pp -138.9 -28.31 0.8 Allowed 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.184 1.492 . . . . 0.0 114.3 170.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -136.45 -48.75 0.65 Allowed 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.261 1.024 . . . . 0.0 112.519 -177.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.271 0.0 OUTLIER 41.37 34.72 0.37 Allowed 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 127.741 2.416 . . . . 0.0 115.977 175.496 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.2 tp -67.7 -31.15 70.91 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.76 1.624 . . . . 0.0 114.494 -171.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -151.52 13.76 0.8 Allowed Glycine 0 CA--C 1.531 1.069 0 N-CA-C 116.898 1.519 . . . . 0.0 116.898 -165.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.72 -30.32 71.33 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 118.895 1.348 . . . . 0.0 113.575 178.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.3 m -145.74 19.15 1.48 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.119 1.368 . . . . 0.0 113.758 -172.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -165.25 174.16 41.09 Favored Glycine 0 CA--C 1.541 1.677 0 N-CA-C 116.091 1.197 . . . . 0.0 116.091 -174.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -67.82 132.0 25.56 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 124.164 3.243 . . . . 0.0 112.297 -172.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -155.88 11.25 0.29 Allowed 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 -173.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.9 mmtt -114.62 25.42 11.02 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 125.028 1.331 . . . . 0.0 113.859 -167.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -137.25 164.27 28.93 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 126.337 1.855 . . . . 0.0 110.347 176.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -143.1 159.93 41.35 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.004 1.322 . . . . 0.0 111.367 175.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.5 m -59.56 150.27 27.61 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.33 1.452 . . . . 0.0 114.228 -176.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -139.29 170.39 16.03 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 126.674 1.99 . . . . 0.0 111.824 -177.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -173.81 174.87 46.39 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 124.767 1.175 . . . . 0.0 113.731 176.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -133.72 9.46 3.92 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 125.653 1.581 . . . . 0.0 114.353 -174.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -160.34 25.5 0.29 Allowed Glycine 0 CA--C 1.536 1.405 0 C-N-CA 124.38 0.991 . . . . 0.0 114.953 -175.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 O-C-N 120.692 -1.475 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 18.6 m . . . . . 0 N--CA 1.493 1.689 0 CA-C-O 120.416 0.15 . . . . 0.0 111.391 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.2 m -132.62 25.76 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 C-N-CA 125.788 1.635 . . . . 0.0 111.961 178.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 3.5 t80 48.81 28.71 1.99 Allowed 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.671 1.988 . . . . 0.0 114.65 -172.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 54.87 21.23 3.51 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 127.355 2.262 . . . . 0.0 115.736 176.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 29.6 m -52.94 -37.26 25.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 -169.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.59 -45.55 65.11 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 118.73 0.695 . . . . 0.0 112.192 175.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.9 tt -59.59 -43.29 93.74 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.42 1.088 . . . . 0.0 110.753 177.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.4 m -63.33 -17.93 63.09 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.672 1.189 . . . . 0.0 113.768 175.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -115.48 -69.89 0.83 Allowed 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.456 1.103 . . . . 0.0 113.476 -172.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 15.4 m -77.04 -11.31 13.65 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 -178.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.0 m 39.26 39.82 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 C-N-CA 127.496 2.318 . . . . 0.0 115.785 176.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 55.85 31.19 17.22 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 126.109 1.764 . . . . 0.0 114.856 -177.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.9 p -49.67 -29.51 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 C-N-CA 126.012 1.725 . . . . 0.0 115.558 -173.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.43 -27.06 45.54 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.434 1.094 . . . . 0.0 113.855 174.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.2 tp -61.1 -41.2 96.23 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.278 1.031 . . . . 0.0 112.491 173.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -76.14 -32.08 58.92 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 121.689 -0.632 . . . . 0.0 111.978 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.09 -49.92 72.57 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.241 0.616 . . . . 0.0 111.284 168.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -56.71 -40.65 76.02 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 121.276 -0.89 . . . . 0.0 111.814 171.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.74 3.66 3.63 Favored Glycine 0 CA--C 1.537 1.433 0 C-N-CA 126.012 1.768 . . . . 0.0 116.627 177.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.5 pp -139.49 -31.87 0.67 Allowed 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.068 1.434 . . . . 0.0 114.159 171.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -127.72 -51.22 1.36 Allowed 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 125.159 1.384 . . . . 0.0 111.337 179.517 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.278 0.0 OUTLIER 40.33 37.51 0.44 Allowed 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 127.502 2.321 . . . . 0.0 114.905 179.248 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 38.8 tp -71.36 -27.28 63.24 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 126.193 1.797 . . . . 0.0 114.491 -169.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -155.34 11.55 0.4 Allowed Glycine 0 CA--C 1.531 1.089 0 N-CA-C 117.711 1.844 . . . . 0.0 117.711 -161.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.6 -28.85 70.2 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 119.292 1.546 . . . . 0.0 113.58 177.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.4 m -145.47 19.34 1.53 Allowed 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.16 1.384 . . . . 0.0 113.737 -172.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -164.86 175.15 40.85 Favored Glycine 0 CA--C 1.54 1.613 0 O-C-N 120.846 -1.159 . . . . 0.0 115.657 -174.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -66.75 128.41 18.88 Favored 'Trans proline' 0 CA--C 1.537 0.667 0 C-N-CA 124.13 3.22 . . . . 0.0 112.497 -171.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -155.59 14.44 0.36 Allowed 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -175.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.7 mmtm -125.92 29.82 5.82 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 125.568 1.547 . . . . 0.0 113.09 -164.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -138.69 163.78 31.24 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 127.41 2.284 . . . . 0.0 109.123 172.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -142.2 161.14 38.77 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.589 1.155 . . . . 0.0 111.493 174.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.2 m -57.19 147.13 25.89 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.57 1.548 . . . . 0.0 114.121 -177.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -138.13 170.0 16.81 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 126.551 1.94 . . . . 0.0 111.622 -178.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -175.43 176.93 47.41 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 124.872 1.225 . . . . 0.0 113.704 176.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -131.62 9.23 4.63 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 125.678 1.591 . . . . 0.0 114.184 -175.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -161.52 24.12 0.23 Allowed Glycine 0 CA--C 1.536 1.398 0 C-N-CA 124.481 1.038 . . . . 0.0 114.948 -176.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 O-C-N 120.576 -1.544 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 11.1 m . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 111.722 0.268 . . . . 0.0 111.722 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 33.6 m -133.11 23.11 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 C-N-CA 126.137 1.775 . . . . 0.0 111.74 174.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 4.1 t80 48.33 30.15 2.19 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 126.801 2.041 . . . . 0.0 114.429 -170.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 56.46 15.71 2.15 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 127.939 2.495 . . . . 0.0 116.235 175.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 34.9 m -54.7 -34.08 29.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 N-CA-C 114.891 1.441 . . . . 0.0 114.891 -170.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.94 -50.03 46.03 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.086 0.554 . . . . 0.0 112.092 174.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.6 tt -56.27 -43.46 78.79 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.697 1.199 . . . . 0.0 110.649 176.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 48.1 m -62.73 -17.64 61.18 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.127 1.371 . . . . 0.0 114.203 177.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -123.15 -64.66 1.15 Allowed 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -172.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.9 m -76.6 -9.73 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 32.6 m 42.25 33.29 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.275 0 C-N-CA 128.186 2.594 . . . . 0.0 116.265 174.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 52.42 37.41 22.58 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.386 1.474 . . . . 0.0 113.822 -172.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.2 p -49.96 -29.01 4.86 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 125.401 1.48 . . . . 0.0 114.465 -176.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.25 -26.46 40.03 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.137 1.375 . . . . 0.0 113.78 173.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.2 tp -59.84 -48.15 82.85 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.127 1.371 . . . . 0.0 111.838 173.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -75.47 -32.07 60.48 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.858 0.863 . . . . 0.0 111.466 -178.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.94 -48.28 77.14 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.349 0.66 . . . . 0.0 111.769 169.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -59.32 -37.25 77.3 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 120.892 -1.13 . . . . 0.0 111.545 171.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.61 3.01 1.5 Allowed Glycine 0 CA--C 1.538 1.522 0 C-N-CA 126.126 1.822 . . . . 0.0 116.995 172.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 pp -139.84 -29.87 0.71 Allowed 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 118.837 1.319 . . . . 0.0 114.315 169.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -128.27 -46.15 1.36 Allowed 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.353 1.461 . . . . 0.0 112.007 176.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.274 0.0 OUTLIER 40.87 35.69 0.36 Allowed 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 127.181 2.192 . . . . 0.0 114.624 -179.471 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 37.5 tp -74.2 -25.3 59.6 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.82 1.648 . . . . 0.0 114.029 -164.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -140.65 13.91 2.93 Favored Glycine 0 N--CA 1.475 1.293 0 N-CA-C 115.359 0.904 . . . . 0.0 115.359 -169.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.55 -32.62 73.61 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 118.552 1.176 . . . . 0.0 113.608 178.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.1 m -146.49 13.47 1.21 Allowed 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 -171.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -166.58 178.12 41.13 Favored Glycine 0 CA--C 1.542 1.746 0 N-CA-C 116.542 1.377 . . . . 0.0 116.542 -170.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -66.68 134.18 34.33 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 124.66 3.574 . . . . 0.0 113.155 -171.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -156.61 17.7 0.32 Allowed 'General case' 0 CA--C 1.551 0.981 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 -172.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.1 mmtm -133.2 32.96 3.66 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 124.772 1.229 . . . . 0.0 113.556 -169.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -137.14 165.34 26.31 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 126.929 2.091 . . . . 0.0 109.377 165.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -144.17 164.52 30.46 Favored 'General case' 0 CA--C 1.56 1.357 0 C-N-CA 124.48 1.112 . . . . 0.0 112.05 176.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 60.9 m -57.16 151.12 16.08 Favored 'General case' 0 N--CA 1.517 2.916 0 C-N-CA 125.708 1.603 . . . . 0.0 111.967 178.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 62.1 mmt-85 -145.81 172.39 13.39 Favored 'General case' 0 N--CA 1.53 3.547 0 C-N-CA 125.735 1.614 . . . . 0.0 110.042 -178.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -167.66 173.86 42.69 Favored Glycine 0 CA--C 1.541 1.715 0 C-N-CA 125.342 1.449 . . . . 0.0 113.099 175.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -133.48 8.3 3.92 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 125.451 1.5 . . . . 0.0 114.708 -171.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -171.2 -5.53 0.03 OUTLIER Glycine 0 CA--C 1.538 1.479 0 N-CA-C 116.544 1.377 . . . . 0.0 116.544 -179.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.228 0 O-C-N 119.976 -1.896 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 13.6 m . . . . . 0 N--CA 1.493 1.681 0 N-CA-C 111.596 0.221 . . . . 0.0 111.596 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.2 m -134.04 26.69 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 C-N-CA 126.027 1.731 . . . . 0.0 112.015 179.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 19.8 t80 46.39 38.26 5.1 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.379 1.872 . . . . 0.0 114.059 -167.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 57.37 21.86 7.26 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.461 1.904 . . . . 0.0 116.124 167.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.3 m -52.78 -32.92 18.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 N-CA-C 114.556 1.317 . . . . 0.0 114.556 -175.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.5 -51.9 18.06 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.48 0.712 . . . . 0.0 112.183 172.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.1 tt -55.99 -43.57 77.77 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.775 1.23 . . . . 0.0 111.476 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 49.3 m -65.36 -17.52 64.59 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.82 1.248 . . . . 0.0 113.939 178.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -124.58 -62.52 1.25 Allowed 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 114.036 1.125 . . . . 0.0 114.036 -171.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.3 m -78.06 -10.64 13.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 CA-C-N 119.575 1.08 . . . . 0.0 113.555 178.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.8 m 42.15 33.47 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 C-N-CA 128.248 2.619 . . . . 0.0 116.403 172.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 53.02 33.96 15.99 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 125.355 1.462 . . . . 0.0 114.134 -174.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.8 p -51.55 -24.0 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 125.866 1.666 . . . . 0.0 115.082 -175.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.58 -27.01 15.03 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.189 1.396 . . . . 0.0 114.32 171.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 58.0 tp -55.87 -51.1 68.74 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.808 1.243 . . . . 0.0 112.098 171.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -74.64 -31.87 62.09 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.848 0.859 . . . . 0.0 111.824 -178.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.78 -52.03 65.89 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.399 0.68 . . . . 0.0 111.515 170.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -57.53 -39.84 77.49 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.168 -0.957 . . . . 0.0 111.714 173.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.49 1.55 3.0 Favored Glycine 0 CA--C 1.539 1.556 0 C-N-CA 125.8 1.667 . . . . 0.0 116.912 176.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.1 pp -140.0 -29.58 0.71 Allowed 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.207 1.504 . . . . 0.0 114.392 170.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -135.3 -52.03 0.77 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.282 1.033 . . . . 0.0 111.921 -178.315 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.268 0.0 OUTLIER 41.21 35.44 0.4 Allowed 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 127.687 2.395 . . . . 0.0 115.751 176.792 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 30.6 tp -64.83 -25.92 68.12 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.667 1.587 . . . . 0.0 114.455 -171.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -151.31 15.69 0.86 Allowed Glycine 0 CA--C 1.531 1.075 0 N-CA-C 116.948 1.539 . . . . 0.0 116.948 -166.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.93 -31.19 72.29 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 118.872 1.336 . . . . 0.0 113.825 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.7 m -146.18 17.92 1.38 Allowed 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 114.304 1.224 . . . . 0.0 114.304 -169.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -165.87 176.47 41.28 Favored Glycine 0 CA--C 1.54 1.643 0 O-C-N 120.793 -1.192 . . . . 0.0 115.471 -174.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -64.96 129.24 22.63 Favored 'Trans proline' 0 CA--C 1.538 0.689 0 C-N-CA 124.15 3.234 . . . . 0.0 112.171 -174.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -154.47 12.86 0.41 Allowed 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 115.333 1.605 . . . . 0.0 115.333 -170.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -130.66 34.75 4.08 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 125.325 1.45 . . . . 0.0 112.935 -172.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -134.85 161.64 34.64 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 126.807 2.043 . . . . 0.0 109.061 169.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -143.42 162.01 36.9 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.622 1.169 . . . . 0.0 110.902 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 38.0 m -58.43 141.72 50.68 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.348 1.059 . . . . 0.0 112.885 175.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -135.77 174.71 10.32 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 126.278 1.831 . . . . 0.0 111.539 -178.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -169.43 174.62 43.8 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 124.761 1.172 . . . . 0.0 113.584 174.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -131.11 11.07 5.01 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 125.566 1.546 . . . . 0.0 114.105 -175.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -162.84 22.51 0.19 Allowed Glycine 0 CA--C 1.537 1.463 0 C-N-CA 124.54 1.066 . . . . 0.0 115.002 -177.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 O-C-N 120.587 -1.537 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 13.4 m . . . . . 0 N--CA 1.493 1.693 0 N-CA-C 111.53 0.196 . . . . 0.0 111.53 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 26.9 m -133.14 22.83 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.425 0 C-N-CA 125.681 1.593 . . . . 0.0 112.287 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 13.0 t80 47.2 34.67 3.15 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 126.195 1.798 . . . . 0.0 114.046 -170.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 55.49 25.23 7.59 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.948 2.099 . . . . 0.0 115.828 172.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 18.2 m -51.91 -38.08 22.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 N-CA-C 114.398 1.258 . . . . 0.0 114.398 -177.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.57 -46.5 66.25 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.435 0.694 . . . . 0.0 112.186 175.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 tt -56.57 -44.67 81.23 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.667 1.187 . . . . 0.0 110.745 177.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.6 m -67.8 -17.13 64.42 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.97 1.308 . . . . 0.0 114.067 177.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -120.81 -68.81 0.88 Allowed 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 119.695 1.134 . . . . 0.0 113.809 -171.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 18.0 m -72.71 -12.73 15.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 CA-C-N 119.478 1.035 . . . . 0.0 113.591 178.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.8 m 41.69 36.6 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 C-N-CA 127.649 2.38 . . . . 0.0 116.319 172.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 56.59 31.03 18.38 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.037 1.735 . . . . 0.0 114.52 -176.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.5 p -51.45 -26.59 6.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 125.476 1.511 . . . . 0.0 114.781 -177.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.22 -29.01 57.12 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 114.09 1.144 . . . . 0.0 114.09 172.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.4 tp -64.83 -48.51 74.12 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.005 0.922 . . . . 0.0 111.89 173.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -69.62 -33.53 72.78 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.311 0.644 . . . . 0.0 112.088 177.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.33 -46.78 85.08 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.62 0.768 . . . . 0.0 112.0 170.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -58.27 -37.49 75.07 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 120.839 -1.163 . . . . 0.0 111.682 172.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.69 1.5 3.2 Favored Glycine 0 CA--C 1.539 1.556 0 C-N-CA 125.756 1.645 . . . . 0.0 116.698 173.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.1 pp -138.52 -26.73 0.88 Allowed 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 119.49 1.645 . . . . 0.0 114.548 171.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -137.51 -53.12 0.66 Allowed 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.65 1.18 . . . . 0.0 112.407 -178.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.286 0.0 OUTLIER 40.27 38.42 0.54 Allowed 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 127.357 2.263 . . . . 0.0 115.252 -177.924 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.2 tp -64.03 -31.98 73.37 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 126.048 1.739 . . . . 0.0 114.355 -173.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -150.94 2.19 0.43 Allowed Glycine 0 CA--C 1.532 1.111 0 N-CA-C 117.702 1.841 . . . . 0.0 117.702 -164.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.58 -23.21 67.19 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 119.473 1.637 . . . . 0.0 113.585 176.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.2 m -142.94 20.15 1.96 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.499 1.519 . . . . 0.0 113.592 -174.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -169.19 173.0 43.6 Favored Glycine 0 CA--C 1.542 1.771 0 O-C-N 120.905 -1.122 . . . . 0.0 115.882 -176.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -68.47 133.19 27.38 Favored 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 124.115 3.21 . . . . 0.0 112.17 -175.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -154.49 15.05 0.44 Allowed 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 -168.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.5 mmtm -129.22 31.25 4.89 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 125.012 1.325 . . . . 0.0 113.856 -168.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -136.14 164.61 27.65 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 126.076 1.75 . . . . 0.0 110.41 172.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -145.63 160.19 42.04 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.153 1.381 . . . . 0.0 111.049 177.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.9 m -63.41 148.22 49.1 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.25 1.02 . . . . 0.0 112.681 175.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -139.21 171.96 13.53 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 126.009 1.724 . . . . 0.0 112.518 -174.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -173.18 177.6 45.54 Favored Glycine 0 CA--C 1.538 1.527 0 C-N-CA 125.424 1.488 . . . . 0.0 113.427 175.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -131.95 9.47 4.53 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 125.781 1.633 . . . . 0.0 114.268 -175.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -140.82 21.32 2.68 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 124.959 1.266 . . . . 0.0 114.705 -173.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 O-C-N 120.638 -1.507 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 14.8 m . . . . . 0 N--CA 1.494 1.733 0 N-CA-C 111.575 0.213 . . . . 0.0 111.575 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 26.8 m -131.0 25.2 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.351 0 C-N-CA 125.899 1.68 . . . . 0.0 111.985 178.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 17.3 t80 48.34 32.9 3.44 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.446 1.899 . . . . 0.0 114.136 -169.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 54.88 22.25 4.16 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 126.897 2.079 . . . . 0.0 115.652 173.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 32.8 m -57.94 -34.47 48.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 -175.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.66 -48.92 58.14 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.642 0.777 . . . . 0.0 111.976 175.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.1 tt -56.93 -44.05 82.1 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.071 0.948 . . . . 0.0 110.652 177.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.0 m -71.34 -3.84 22.87 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.443 1.497 . . . . 0.0 113.603 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -132.53 -68.15 0.62 Allowed 'General case' 0 CA--C 1.545 0.764 0 O-C-N 120.862 -1.149 . . . . 0.0 113.947 -177.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.5 m -76.98 -10.37 13.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 CA-C-N 119.437 1.017 . . . . 0.0 113.708 -178.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.8 m 42.03 38.39 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 127.786 2.434 . . . . 0.0 115.775 172.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 56.44 35.17 25.5 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.879 1.671 . . . . 0.0 114.551 -178.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.7 p -46.2 -33.48 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 125.672 1.589 . . . . 0.0 114.658 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.6 -33.75 68.53 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.448 1.099 . . . . 0.0 113.915 175.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.2 tp -64.07 -45.78 87.26 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.013 0.925 . . . . 0.0 111.42 175.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -72.55 -35.73 68.09 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.08 0.952 . . . . 0.0 112.169 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.49 -49.75 75.52 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.738 0.815 . . . . 0.0 111.681 170.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -56.59 -41.02 76.28 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.235 -0.916 . . . . 0.0 111.554 171.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.07 6.1 4.26 Favored Glycine 0 CA--C 1.538 1.488 0 C-N-CA 126.206 1.86 . . . . 0.0 116.978 176.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.4 pp -139.36 -31.72 0.68 Allowed 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.375 1.588 . . . . 0.0 114.052 170.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -134.52 -46.86 0.75 Allowed 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.654 1.182 . . . . 0.0 113.097 179.312 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.283 0.0 OUTLIER 40.77 42.3 1.4 Allowed 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 126.941 2.096 . . . . 0.0 114.466 -177.881 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 31.2 tp -62.63 -36.31 82.38 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.956 1.702 . . . . 0.0 114.17 -170.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -150.03 4.71 0.64 Allowed Glycine 0 CA--C 1.532 1.105 0 N-CA-C 118.441 2.136 . . . . 0.0 118.441 -162.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.0 -21.13 66.38 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 119.611 1.706 . . . . 0.0 113.901 177.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.1 m -142.37 16.37 2.04 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.1 1.36 . . . . 0.0 114.09 -170.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -172.41 176.67 45.31 Favored Glycine 0 CA--C 1.541 1.718 0 O-C-N 120.858 -1.151 . . . . 0.0 115.547 -175.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -64.3 131.59 30.72 Favored 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 124.095 3.197 . . . . 0.0 112.183 -175.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -155.94 11.62 0.3 Allowed 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 115.612 1.708 . . . . 0.0 115.612 -169.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 41.1 mmtm -130.43 33.07 4.34 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 125.354 1.462 . . . . 0.0 113.063 -170.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -135.75 163.59 29.84 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 126.408 1.883 . . . . 0.0 109.929 171.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -143.82 159.55 42.33 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.229 1.412 . . . . 0.0 110.19 177.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.3 m -58.84 145.07 42.23 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.71 1.204 . . . . 0.0 113.039 177.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -136.98 170.38 16.2 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 126.189 1.796 . . . . 0.0 111.904 -177.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -174.21 -179.32 44.76 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 125.017 1.294 . . . . 0.0 113.298 177.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -130.23 15.69 5.61 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 125.697 1.599 . . . . 0.0 113.729 -175.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 176.59 -22.66 0.05 OUTLIER Glycine 0 CA--C 1.537 1.411 0 N-CA-C 115.595 0.998 . . . . 0.0 115.595 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 O-C-N 120.44 -1.624 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 17.0 m . . . . . 0 N--CA 1.492 1.673 0 N-CA-C 111.579 0.214 . . . . 0.0 111.579 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 25.6 m -129.2 32.46 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.325 0 C-N-CA 126.104 1.762 . . . . 0.0 111.223 173.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 10.9 t80 43.4 45.14 5.2 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 127.618 2.367 . . . . 0.0 115.11 -174.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 59.69 23.52 12.35 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 115.779 1.77 . . . . 0.0 115.779 163.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 18.0 m -55.54 -30.24 25.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 -175.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.62 -52.11 10.3 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 118.869 0.759 . . . . 0.0 112.222 174.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.4 tt -57.37 -43.31 83.45 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.413 1.085 . . . . 0.0 111.169 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.6 m -73.38 -2.42 22.18 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.278 1.431 . . . . 0.0 113.404 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -131.08 -70.89 0.58 Allowed 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.0 -1.062 . . . . 0.0 113.273 -177.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.6 m -75.65 -11.95 14.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 -178.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 31.6 m 43.05 34.87 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 C-N-CA 127.758 2.423 . . . . 0.0 116.103 172.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 54.22 38.26 28.89 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.442 1.497 . . . . 0.0 114.099 -174.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.6 p -44.51 -31.48 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 C-N-CA 126.992 2.117 . . . . 0.0 114.947 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.58 -35.91 61.35 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.502 1.121 . . . . 0.0 113.876 175.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.5 tp -63.92 -46.52 84.44 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.784 0.833 . . . . 0.0 111.915 175.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -73.02 -33.53 65.81 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.06 0.944 . . . . 0.0 112.201 -177.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.88 -51.59 63.85 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.68 0.792 . . . . 0.0 111.579 168.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -57.54 -36.64 71.89 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.165 -0.96 . . . . 0.0 112.319 175.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.69 0.79 2.82 Favored Glycine 0 CA--C 1.538 1.47 0 C-N-CA 125.964 1.745 . . . . 0.0 116.714 175.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.7 pp -140.86 -26.34 0.73 Allowed 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 118.936 1.368 . . . . 0.0 114.283 168.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -137.6 -44.63 0.54 Allowed 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.814 1.246 . . . . 0.0 113.094 -178.529 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.268 0.0 OUTLIER 40.74 37.78 0.54 Allowed 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 127.368 2.267 . . . . 0.0 115.367 178.117 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.2 tp -64.58 -33.82 76.8 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.623 1.569 . . . . 0.0 114.384 -170.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -141.11 7.51 2.63 Favored Glycine 0 CA--C 1.532 1.151 0 N-CA-C 116.718 1.447 . . . . 0.0 116.718 -166.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.23 -24.55 67.71 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 118.887 1.344 . . . . 0.0 114.042 179.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.1 m -142.01 16.14 2.1 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.281 1.432 . . . . 0.0 114.113 -174.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -171.72 175.66 45.08 Favored Glycine 0 CA--C 1.54 1.639 0 N-CA-C 116.297 1.279 . . . . 0.0 116.297 -176.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -65.87 137.78 50.48 Favored 'Trans proline' 0 CA--C 1.538 0.695 0 C-N-CA 124.316 3.344 . . . . 0.0 112.504 -175.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -156.71 15.91 0.3 Allowed 'General case' 0 CA--C 1.553 1.072 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -169.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -127.14 24.95 6.28 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 125.314 1.445 . . . . 0.0 113.974 -166.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -136.53 165.57 25.55 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.566 1.946 . . . . 0.0 109.719 171.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -141.47 162.76 34.7 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.098 1.359 . . . . 0.0 110.671 176.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 38.3 m -59.15 144.86 44.51 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.665 1.186 . . . . 0.0 113.473 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 32.9 mmt180 -138.52 175.4 9.6 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 126.446 1.899 . . . . 0.0 112.001 -176.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -164.36 176.4 40.28 Favored Glycine 0 CA--C 1.537 1.406 0 C-N-CA 125.854 1.692 . . . . 0.0 112.385 174.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -130.01 19.81 5.45 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 124.803 1.241 . . . . 0.0 113.803 -172.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -175.8 -23.67 0.03 OUTLIER Glycine 0 CA--C 1.538 1.496 0 C-N-CA 124.39 0.995 . . . . 0.0 115.445 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.263 0 O-C-N 120.341 -1.682 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 6.2 m . . . . . 0 N--CA 1.493 1.689 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.7 m -124.57 18.6 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 C-N-CA 125.956 1.702 . . . . 0.0 111.824 171.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . 0.253 2.5 t80 40.75 44.05 1.79 Allowed 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 127.964 2.506 . . . . 0.0 115.313 -171.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 62.11 22.57 13.21 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 115.853 1.797 . . . . 0.0 115.853 163.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 15.9 m -51.56 -29.73 10.23 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 N-CA-C 115.457 1.651 . . . . 0.0 115.457 -176.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -89.55 -46.69 8.49 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.645 0.778 . . . . 0.0 112.617 174.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.2 tt -57.25 -47.44 81.37 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.447 1.099 . . . . 0.0 111.232 -177.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.3 m -69.72 -9.17 53.42 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.253 1.421 . . . . 0.0 113.617 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -126.29 -73.56 0.62 Allowed 'General case' 0 CA--C 1.543 0.709 0 O-C-N 120.972 -1.08 . . . . 0.0 113.299 -172.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 29.0 m -75.66 -13.33 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -177.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 32.0 m 44.91 33.38 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 C-N-CA 127.843 2.457 . . . . 0.0 116.053 170.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 53.44 38.17 27.34 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.353 1.461 . . . . 0.0 113.873 -174.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.6 p -45.56 -32.11 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 C-N-CA 126.236 1.814 . . . . 0.0 114.767 -178.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.52 -31.95 57.2 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.919 1.288 . . . . 0.0 114.336 175.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.2 tp -61.4 -52.19 65.63 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.279 1.032 . . . . 0.0 111.537 175.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -71.9 -33.84 68.65 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.245 1.018 . . . . 0.0 111.921 -178.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.58 -50.72 70.17 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.752 0.821 . . . . 0.0 111.895 170.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -59.5 -36.36 75.92 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 120.899 -1.125 . . . . 0.0 111.674 174.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.73 2.36 2.64 Favored Glycine 0 CA--C 1.538 1.5 0 C-N-CA 125.854 1.692 . . . . 0.0 116.91 173.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.3 pp -140.93 -25.6 0.74 Allowed 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.247 1.524 . . . . 0.0 114.481 170.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -132.19 -44.12 0.94 Allowed 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.23 1.412 . . . . 0.0 112.635 177.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.282 0.0 OUTLIER 40.8 40.42 0.97 Allowed 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 126.967 2.107 . . . . 0.0 114.625 179.548 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.3 tp -63.13 -40.09 96.57 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.492 1.917 . . . . 0.0 114.143 -171.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -149.7 12.47 0.99 Allowed Glycine 0 N--CA 1.473 1.143 0 N-CA-C 117.524 1.77 . . . . 0.0 117.524 -161.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.12 -26.99 69.08 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 119.274 1.537 . . . . 0.0 113.82 178.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.8 m -145.96 20.97 1.44 Allowed 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.054 1.341 . . . . 0.0 113.464 -174.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -167.09 173.37 42.33 Favored Glycine 0 CA--C 1.541 1.667 0 N-CA-C 116.083 1.193 . . . . 0.0 116.083 -175.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -65.94 134.01 35.67 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 124.209 3.273 . . . . 0.0 112.221 -174.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -156.59 8.97 0.21 Allowed 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 -174.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.3 mmtt -115.14 23.63 12.34 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 125.209 1.404 . . . . 0.0 113.739 -168.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -136.37 162.38 33.18 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 126.582 1.953 . . . . 0.0 110.159 177.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -143.45 164.68 29.63 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.113 1.365 . . . . 0.0 111.024 176.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 68.3 m -64.82 144.49 57.22 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.805 0.842 . . . . 0.0 112.248 174.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -138.75 176.66 8.5 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 126.511 1.924 . . . . 0.0 111.587 -176.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.32 176.19 41.62 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 124.936 1.255 . . . . 0.0 113.632 175.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -130.16 5.4 4.88 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 125.675 1.59 . . . . 0.0 114.628 -174.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -161.3 22.32 0.22 Allowed Glycine 0 CA--C 1.537 1.421 0 C-N-CA 124.195 0.902 . . . . 0.0 115.079 -177.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.358 0 O-C-N 120.55 -1.559 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 16.0 m . . . . . 0 N--CA 1.493 1.708 0 N-CA-C 111.644 0.238 . . . . 0.0 111.644 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.6 m -128.7 19.09 2.72 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 C-N-CA 125.801 1.64 . . . . 0.0 112.032 175.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.3 t80 41.46 44.08 2.38 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 127.103 2.161 . . . . 0.0 114.636 -168.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 62.43 21.71 12.76 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 115.91 1.818 . . . . 0.0 115.91 163.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 18.0 m -52.57 -23.74 5.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 -179.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -102.21 -45.35 5.16 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.379 1.072 . . . . 0.0 112.762 173.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 tt -59.09 -44.19 91.91 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.906 0.882 . . . . 0.0 111.718 -177.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.3 m -70.93 -13.29 61.96 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.138 -0.976 . . . . 0.0 113.311 177.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -119.53 -72.04 0.71 Allowed 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.348 1.059 . . . . 0.0 113.247 -169.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 19.5 m -75.78 -12.99 14.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.1 m 41.11 36.71 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 C-N-CA 127.493 2.317 . . . . 0.0 116.01 175.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 54.63 37.76 28.72 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.912 1.685 . . . . 0.0 114.343 -174.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.2 p -46.68 -31.28 1.5 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 C-N-CA 126.134 1.774 . . . . 0.0 114.682 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.32 -30.2 50.4 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.872 1.269 . . . . 0.0 114.216 175.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 67.3 tp -61.16 -44.72 96.87 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.365 1.066 . . . . 0.0 112.042 173.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -79.61 -31.75 41.74 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.239 1.016 . . . . 0.0 111.785 -177.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.05 -51.3 68.54 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.388 0.675 . . . . 0.0 111.404 167.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -56.36 -38.45 71.42 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.075 -1.016 . . . . 0.0 111.738 171.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.22 -1.1 1.99 Allowed Glycine 0 CA--C 1.538 1.507 0 C-N-CA 126.18 1.848 . . . . 0.0 117.229 174.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 pp -140.7 -26.28 0.74 Allowed 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 119.261 1.531 . . . . 0.0 114.341 170.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -133.74 -44.07 0.81 Allowed 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.775 1.63 . . . . 0.0 112.181 179.438 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.266 0.0 OUTLIER 42.12 34.82 0.51 Allowed 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 127.934 2.494 . . . . 0.0 115.518 176.073 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.3 tp -71.55 -33.37 69.07 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.152 1.381 . . . . 0.0 114.34 -168.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -176.0 38.14 0.1 Allowed Glycine 0 CA--C 1.529 0.956 0 N-CA-C 117.03 1.572 . . . . 0.0 117.03 -174.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.53 -22.89 56.78 Favored 'General case' 0 CA--C 1.552 1.04 0 CA-C-N 118.691 1.245 . . . . 0.0 113.239 168.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.1 m -142.72 25.46 1.81 Allowed 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.323 1.849 . . . . 0.0 112.524 179.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -167.61 175.36 42.6 Favored Glycine 0 CA--C 1.542 1.731 0 N-CA-C 116.406 1.323 . . . . 0.0 116.406 -172.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -67.47 127.78 17.09 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 124.417 3.411 . . . . 0.0 112.872 -172.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -154.25 9.1 0.35 Allowed 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 115.268 1.581 . . . . 0.0 115.268 -174.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -119.37 19.94 12.63 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 125.151 1.38 . . . . 0.0 113.777 -166.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -135.51 164.42 27.85 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 126.379 1.871 . . . . 0.0 110.794 178.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -141.37 164.41 30.32 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.751 1.62 . . . . 0.0 111.132 177.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 57.1 m -62.7 143.92 56.9 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.965 0.906 . . . . 0.0 112.319 175.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -138.33 171.81 13.83 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 126.326 1.85 . . . . 0.0 111.523 -178.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.39 178.63 40.81 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 124.849 1.214 . . . . 0.0 113.696 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -133.26 21.19 4.03 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 125.771 1.628 . . . . 0.0 113.693 -171.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -178.61 -22.76 0.03 OUTLIER Glycine 0 CA--C 1.538 1.484 0 N-CA-C 115.636 1.014 . . . . 0.0 115.636 177.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 O-C-N 120.412 -1.64 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 15.5 m . . . . . 0 N--CA 1.493 1.682 0 N-CA-C 111.437 0.162 . . . . 0.0 111.437 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.1 m -131.29 20.38 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 C-N-CA 125.515 1.526 . . . . 0.0 112.66 -176.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 5.6 t80 46.78 37.11 4.38 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 125.915 1.686 . . . . 0.0 113.547 -168.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 55.39 24.37 6.58 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 127.292 2.237 . . . . 0.0 116.328 172.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 26.1 m -54.63 -36.41 35.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 -179.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.61 -50.6 24.23 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.446 0.699 . . . . 0.0 111.861 175.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.7 tt -56.58 -43.16 79.79 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.269 1.028 . . . . 0.0 111.069 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.8 m -67.49 -12.72 60.99 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.27 1.428 . . . . 0.0 113.595 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -126.27 -68.09 0.83 Allowed 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.319 1.048 . . . . 0.0 113.526 -173.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 31.0 m -75.01 -10.25 13.48 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -179.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.1 m 42.07 37.66 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 C-N-CA 127.65 2.38 . . . . 0.0 116.092 172.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 57.08 32.29 21.42 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.972 1.709 . . . . 0.0 114.621 -176.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.2 p -47.19 -31.04 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 125.894 1.678 . . . . 0.0 114.743 -178.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.38 -34.33 66.57 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 176.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 62.6 tp -64.83 -49.01 72.29 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.895 0.878 . . . . 0.0 111.436 174.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -68.02 -36.32 79.74 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.443 1.097 . . . . 0.0 112.081 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.78 -52.17 61.48 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.362 1.065 . . . . 0.0 111.753 171.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -56.07 -37.17 68.95 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.086 -1.009 . . . . 0.0 111.971 176.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.81 0.38 3.28 Favored Glycine 0 CA--C 1.539 1.536 0 N-CA-C 117.214 1.646 . . . . 0.0 117.214 175.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 pp -145.8 -14.75 0.48 Allowed 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 119.261 1.531 . . . . 0.0 114.905 171.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -134.2 -45.81 0.77 Allowed 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.565 1.546 . . . . 0.0 112.494 177.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.275 0.0 OUTLIER 41.23 34.53 0.33 Allowed 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 127.14 2.176 . . . . 0.0 115.006 -177.149 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.2 tp -72.15 -19.56 61.74 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.684 1.594 . . . . 0.0 113.848 -171.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -151.46 0.99 0.34 Allowed Glycine 0 CA--C 1.534 1.271 0 N-CA-C 117.277 1.671 . . . . 0.0 117.277 -173.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.48 -17.6 63.63 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 119.328 1.564 . . . . 0.0 114.225 177.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.0 m -140.65 15.49 2.34 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.044 1.338 . . . . 0.0 113.638 -171.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -176.01 175.26 47.34 Favored Glycine 0 CA--C 1.538 1.508 0 O-C-N 121.087 -1.008 . . . . 0.0 114.876 -178.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -62.01 141.86 90.57 Favored 'Trans proline' 0 CA--C 1.537 0.646 0 C-N-CA 123.706 2.937 . . . . 0.0 112.2 -178.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -157.35 6.23 0.15 Allowed 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 -172.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -107.59 16.69 23.5 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 125.599 1.56 . . . . 0.0 113.546 -170.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -135.89 162.36 33.05 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 126.749 2.02 . . . . 0.0 110.471 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -140.51 156.92 46.18 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.546 1.539 . . . . 0.0 110.394 173.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 68.8 m -62.64 146.36 52.29 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.362 1.065 . . . . 0.0 113.147 -178.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -136.36 174.4 10.65 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 126.658 1.983 . . . . 0.0 111.487 -176.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -164.24 177.71 39.84 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 124.652 1.12 . . . . 0.0 113.843 178.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -132.33 16.9 4.49 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 125.813 1.645 . . . . 0.0 113.906 -172.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 176.8 -22.91 0.05 OUTLIER Glycine 0 CA--C 1.536 1.362 0 N-CA-C 115.544 0.978 . . . . 0.0 115.544 177.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.264 0 O-C-N 120.398 -1.648 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 15.5 m . . . . . 0 N--CA 1.493 1.696 0 N-CA-C 111.476 0.176 . . . . 0.0 111.476 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.2 m -130.47 28.17 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 C-N-CA 125.926 1.69 . . . . 0.0 111.859 178.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 t80 49.89 31.3 4.52 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.846 2.058 . . . . 0.0 114.811 -173.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 55.32 26.81 9.06 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.994 2.118 . . . . 0.0 115.788 172.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.2 m -56.6 -35.78 46.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 -178.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.7 -49.08 64.54 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.475 0.71 . . . . 0.0 111.909 175.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.1 tt -56.65 -42.95 79.78 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.124 0.97 . . . . 0.0 110.609 175.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.5 m -63.34 -24.06 67.69 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.006 1.322 . . . . 0.0 113.653 178.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -121.42 -62.45 1.42 Allowed 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 -170.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.1 m -79.82 -6.91 10.06 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 CA-C-N 119.377 0.989 . . . . 0.0 113.587 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.7 m 40.4 38.13 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 127.827 2.451 . . . . 0.0 115.977 175.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 53.49 35.09 19.83 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.987 1.715 . . . . 0.0 114.392 -176.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.6 p -48.17 -30.63 2.72 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 125.901 1.68 . . . . 0.0 115.028 -176.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.03 -27.65 46.14 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.938 1.295 . . . . 0.0 114.423 175.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.1 tp -60.45 -50.93 71.61 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.478 1.111 . . . . 0.0 112.016 174.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -72.42 -32.53 66.42 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 123.889 0.875 . . . . 0.0 111.729 -178.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.17 -51.46 66.3 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.587 0.755 . . . . 0.0 111.808 171.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -56.29 -36.72 68.94 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 121.093 -1.004 . . . . 0.0 111.883 173.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.28 -0.81 1.89 Allowed Glycine 0 CA--C 1.537 1.459 0 C-N-CA 126.059 1.79 . . . . 0.0 117.229 173.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 pp -143.64 -20.79 0.6 Allowed 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.332 1.566 . . . . 0.0 114.75 170.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -134.69 -48.03 0.75 Allowed 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.191 1.396 . . . . 0.0 112.271 177.611 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.263 0.0 OUTLIER 41.91 33.59 0.36 Allowed 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 127.188 2.195 . . . . 0.0 115.312 -179.81 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.4 tp -70.33 -24.65 63.04 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.061 1.744 . . . . 0.0 114.1 -171.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -145.53 2.83 1.12 Allowed Glycine 0 CA--C 1.532 1.152 0 N-CA-C 116.303 1.281 . . . . 0.0 116.303 -171.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.48 -15.39 63.53 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-N 118.667 1.234 . . . . 0.0 113.958 175.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.0 m -139.24 3.86 2.19 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 -168.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 174.55 -173.95 46.32 Favored Glycine 0 CA--C 1.541 1.673 0 N-CA-C 116.404 1.322 . . . . 0.0 116.404 -177.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -44.6 127.35 7.75 Favored 'Trans proline' 0 C--N 1.353 0.776 1 C-N-CA 126.127 4.551 . . . . 0.0 115.411 -179.378 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -155.36 -1.58 0.15 Allowed 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 115.292 1.59 . . . . 0.0 115.292 -177.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -95.97 15.02 21.69 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 125.172 1.389 . . . . 0.0 114.194 -166.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -137.92 164.77 28.16 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.343 1.857 . . . . 0.0 111.231 -178.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -138.62 163.2 32.69 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.78 1.632 . . . . 0.0 110.234 175.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.1 m -64.35 142.96 58.23 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.913 0.885 . . . . 0.0 112.849 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -138.47 174.31 10.68 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 126.812 2.045 . . . . 0.0 111.302 -177.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -167.22 177.99 41.56 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 124.586 1.089 . . . . 0.0 113.832 177.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -130.16 11.22 5.46 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 125.91 1.684 . . . . 0.0 114.12 -174.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 173.39 -22.04 0.07 OUTLIER Glycine 0 CA--C 1.538 1.477 0 N-CA-C 115.48 0.952 . . . . 0.0 115.48 178.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.339 0 O-C-N 120.475 -1.603 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 18.9 m . . . . . 0 N--CA 1.492 1.637 0 N-CA-C 111.521 0.193 . . . . 0.0 111.521 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 33.8 m -127.38 18.42 3.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 C-N-CA 125.708 1.603 . . . . 0.0 112.297 174.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.3 t80 45.33 34.26 1.46 Allowed 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 127.187 2.195 . . . . 0.0 114.768 -171.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 58.17 16.68 4.05 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 127.327 2.251 . . . . 0.0 116.244 172.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.4 m -55.18 -36.39 39.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 N-CA-C 114.236 1.198 . . . . 0.0 114.236 -173.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.47 -44.57 70.92 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.597 0.759 . . . . 0.0 112.242 175.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 tt -58.76 -44.13 90.5 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.155 0.982 . . . . 0.0 110.756 177.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.7 m -66.69 -15.19 63.33 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.092 1.357 . . . . 0.0 113.973 177.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -125.14 -68.87 0.82 Allowed 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.074 1.138 . . . . 0.0 114.074 -171.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.4 m -75.07 -13.5 15.35 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 CA-C-N 119.557 1.071 . . . . 0.0 113.73 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 29.8 m 44.47 34.6 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 127.713 2.405 . . . . 0.0 116.137 172.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 57.01 31.8 20.55 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.834 1.653 . . . . 0.0 114.256 -175.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.0 p -48.96 -32.48 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 125.26 1.424 . . . . 0.0 114.075 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.48 -32.37 66.9 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 175.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 67.4 tp -65.58 -50.44 65.1 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.899 0.88 . . . . 0.0 111.173 175.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -69.95 -33.34 71.99 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.102 0.961 . . . . 0.0 112.206 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.14 -50.76 69.17 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.138 0.975 . . . . 0.0 111.731 169.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -56.54 -37.17 70.14 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.649 1.113 . . . . 0.0 111.846 173.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.75 1.98 2.15 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 125.798 1.666 . . . . 0.0 117.087 174.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.6 pp -141.79 -29.26 0.62 Allowed 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 119.189 1.494 . . . . 0.0 114.285 169.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -134.27 -45.84 0.77 Allowed 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.968 1.307 . . . . 0.0 112.428 175.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.258 0.0 OUTLIER 40.82 35.02 0.3 Allowed 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 127.234 2.214 . . . . 0.0 114.935 -179.869 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.2 tp -74.35 -20.25 60.16 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.572 1.549 . . . . 0.0 113.957 -167.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -144.3 -1.47 0.92 Allowed Glycine 0 CA--C 1.534 1.275 0 N-CA-C 116.512 1.365 . . . . 0.0 116.512 -174.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.05 -16.15 63.1 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 118.942 1.371 . . . . 0.0 114.08 175.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.8 m -140.59 10.75 2.27 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.885 1.274 . . . . 0.0 114.266 -169.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -178.76 178.97 48.88 Favored Glycine 0 CA--C 1.539 1.543 0 N-CA-C 115.506 0.962 . . . . 0.0 115.506 -176.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -63.4 141.31 80.69 Favored 'Trans proline' 0 CA--C 1.538 0.699 0 C-N-CA 124.183 3.256 . . . . 0.0 112.267 -178.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -157.04 7.09 0.16 Allowed 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 -168.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -104.45 9.11 35.74 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 114.804 1.409 . . . . 0.0 114.804 -164.204 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -137.57 168.21 20.12 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 126.285 1.834 . . . . 0.0 111.029 -176.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -141.85 158.55 43.66 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.222 1.409 . . . . 0.0 111.474 176.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 27.1 m -56.5 145.58 27.45 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.831 1.253 . . . . 0.0 113.218 175.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -139.14 174.6 10.34 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 126.498 1.919 . . . . 0.0 111.495 178.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -164.16 175.14 40.29 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 124.783 1.182 . . . . 0.0 113.496 177.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -130.99 4.93 4.5 Favored 'General case' 0 N--CA 1.483 1.225 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 -171.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -172.4 6.94 0.03 OUTLIER Glycine 0 CA--C 1.537 1.467 0 N-CA-C 116.476 1.35 . . . . 0.0 116.476 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 O-C-N 120.162 -1.787 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 8.2 m . . . . . 0 N--CA 1.492 1.626 0 N-CA-C 111.636 0.236 . . . . 0.0 111.636 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.8 m -133.8 26.03 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 C-N-CA 125.917 1.687 . . . . 0.0 111.913 178.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 18.7 t80 47.45 35.74 4.41 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 126.222 1.809 . . . . 0.0 114.02 -170.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 56.89 18.72 4.03 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 126.907 2.083 . . . . 0.0 115.998 172.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.8 m -52.26 -35.91 20.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 N-CA-C 115.232 1.567 . . . . 0.0 115.232 -170.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.05 -46.17 62.5 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.918 0.781 . . . . 0.0 112.306 175.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.5 tt -57.6 -45.94 84.68 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.514 1.125 . . . . 0.0 110.678 177.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.1 m -69.65 -6.91 34.59 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.063 1.345 . . . . 0.0 113.883 178.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -128.45 -71.32 0.65 Allowed 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 119.74 1.154 . . . . 0.0 113.837 -175.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 17.4 m -73.78 -14.83 16.58 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 CA-C-N 119.565 1.075 . . . . 0.0 113.709 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.2 m 41.94 36.88 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 127.996 2.519 . . . . 0.0 115.942 173.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 55.51 37.05 28.36 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.59 1.556 . . . . 0.0 114.315 -176.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.9 p -45.22 -30.83 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 126.392 1.877 . . . . 0.0 114.906 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.9 -35.57 61.76 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.849 1.26 . . . . 0.0 114.33 175.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 51.4 tp -63.0 -50.45 70.69 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.097 0.959 . . . . 0.0 111.522 175.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -71.58 -28.38 63.79 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.067 0.947 . . . . 0.0 112.205 -176.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.41 -52.97 26.96 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.88 0.872 . . . . 0.0 112.139 166.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -55.47 -37.55 67.92 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 120.924 -1.11 . . . . 0.0 112.528 178.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.27 2.48 3.04 Favored Glycine 0 CA--C 1.539 1.574 0 N-CA-C 116.633 1.413 . . . . 0.0 116.633 176.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.8 pp -140.59 -29.54 0.68 Allowed 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 118.91 1.355 . . . . 0.0 113.878 168.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -125.15 -54.33 1.6 Allowed 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.212 1.405 . . . . 0.0 111.217 170.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.263 0.0 OUTLIER 41.46 28.81 0.08 Allowed 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 126.563 1.945 . . . . 0.0 115.522 -174.252 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 34.7 tp -68.56 -16.61 63.92 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.693 1.997 . . . . 0.0 113.458 -174.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -149.21 -2.97 0.31 Allowed Glycine 0 CA--C 1.534 1.27 0 N-CA-C 116.524 1.369 . . . . 0.0 116.524 -174.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.11 -14.59 63.09 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-N 118.99 1.395 . . . . 0.0 113.991 175.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.5 m -140.44 12.71 2.35 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.149 1.38 . . . . 0.0 114.069 -171.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -176.48 176.8 47.94 Favored Glycine 0 CA--C 1.541 1.677 0 O-C-N 120.969 -1.082 . . . . 0.0 115.175 -178.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -59.78 144.79 99.38 Favored 'Trans proline' 0 CA--C 1.538 0.707 0 C-N-CA 123.365 2.71 . . . . 0.0 111.749 178.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -157.35 14.74 0.25 Allowed 'General case' 0 CA--C 1.551 1.004 0 N-CA-C 114.997 1.481 . . . . 0.0 114.997 -171.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -120.09 20.32 12.11 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 125.126 1.37 . . . . 0.0 114.268 -166.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -138.54 167.15 22.55 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 126.698 1.999 . . . . 0.0 110.565 175.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -142.06 155.62 45.39 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.472 1.509 . . . . 0.0 110.733 177.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.2 m -56.61 146.27 25.81 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.493 1.517 . . . . 0.0 114.076 -178.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -139.3 174.0 10.97 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 126.197 1.799 . . . . 0.0 112.459 -176.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.03 179.53 41.19 Favored Glycine 0 CA--C 1.539 1.556 0 C-N-CA 125.89 1.71 . . . . 0.0 112.686 175.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -129.43 11.85 5.88 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 125.281 1.432 . . . . 0.0 114.552 -174.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -177.28 -15.89 0.02 OUTLIER Glycine 0 CA--C 1.537 1.461 0 N-CA-C 116.246 1.258 . . . . 0.0 116.246 178.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 O-C-N 120.285 -1.715 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 9.4 m . . . . . 0 N--CA 1.493 1.68 0 N-CA-C 111.539 0.2 . . . . 0.0 111.539 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 31.7 m -133.16 23.53 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 C-N-CA 125.75 1.62 . . . . 0.0 111.87 174.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 47.9 32.64 2.86 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 126.256 1.822 . . . . 0.0 114.393 -171.545 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 56.72 21.33 5.81 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 127.141 2.176 . . . . 0.0 115.964 177.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 29.6 m -59.47 -32.96 49.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 O-C-N 120.751 -1.218 . . . . 0.0 113.179 178.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.74 -47.95 73.55 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.686 0.794 . . . . 0.0 111.951 174.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.0 tt -56.69 -44.34 81.38 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.944 0.898 . . . . 0.0 110.273 173.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.1 m -63.56 -21.77 66.53 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.114 1.366 . . . . 0.0 113.8 179.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -123.42 -65.23 1.1 Allowed 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 -170.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.9 m -76.59 -10.36 13.23 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 CA-C-N 119.54 1.063 . . . . 0.0 113.683 -179.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.4 m 40.76 38.68 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 127.938 2.495 . . . . 0.0 115.663 175.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 54.54 37.95 28.89 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.94 1.696 . . . . 0.0 114.354 -176.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.2 p -45.86 -33.07 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 C-N-CA 125.688 1.595 . . . . 0.0 114.804 -179.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.38 -29.31 63.96 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 114.337 1.236 . . . . 0.0 114.337 175.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.1 tp -61.97 -51.11 69.39 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.65 1.18 . . . . 0.0 111.355 174.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -70.34 -34.43 72.66 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.105 0.962 . . . . 0.0 111.959 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.75 -51.23 69.18 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.473 0.709 . . . . 0.0 111.74 171.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -57.1 -37.33 71.78 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.048 -1.033 . . . . 0.0 111.847 173.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.86 0.61 4.11 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 125.518 1.532 . . . . 0.0 116.91 175.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 pp -142.76 -18.79 0.67 Allowed 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 119.273 1.536 . . . . 0.0 114.834 171.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -135.45 -51.14 0.75 Allowed 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.874 1.27 . . . . 0.0 112.39 179.23 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.275 0.0 OUTLIER 40.84 34.41 0.27 Allowed 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 127.272 2.229 . . . . 0.0 115.372 -179.053 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 33.6 tp -72.4 -23.12 61.05 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.106 1.762 . . . . 0.0 113.997 -172.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -152.77 6.18 0.45 Allowed Glycine 0 CA--C 1.534 1.261 0 N-CA-C 117.152 1.621 . . . . 0.0 117.152 -168.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.41 -21.42 64.68 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 119.085 1.442 . . . . 0.0 113.969 177.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.5 m -144.35 14.99 1.64 Allowed 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.811 1.244 . . . . 0.0 114.309 -169.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -171.62 176.3 44.85 Favored Glycine 0 CA--C 1.54 1.595 0 O-C-N 120.916 -1.115 . . . . 0.0 115.305 -176.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -64.59 135.04 43.69 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 123.897 3.065 . . . . 0.0 111.957 -175.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -155.44 11.09 0.32 Allowed 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 -174.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -110.16 17.98 20.43 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 125.295 1.438 . . . . 0.0 113.725 -167.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -136.31 165.28 26.14 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 126.967 2.107 . . . . 0.0 110.339 177.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -141.32 160.44 40.11 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.278 1.431 . . . . 0.0 110.418 175.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 67.6 m -63.98 143.94 57.48 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.281 1.032 . . . . 0.0 112.682 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 -135.16 173.88 11.23 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 126.52 1.928 . . . . 0.0 111.393 -176.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.34 178.17 43.19 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 124.427 1.013 . . . . 0.0 113.936 177.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -130.76 13.12 5.34 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.878 1.671 . . . . 0.0 113.853 -175.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 172.62 -25.67 0.08 OUTLIER Glycine 0 CA--C 1.536 1.38 0 C-N-CA 124.111 0.862 . . . . 0.0 115.214 176.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.262 0 O-C-N 120.498 -1.589 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 8.7 m . . . . . 0 N--CA 1.492 1.662 0 N-CA-C 111.676 0.25 . . . . 0.0 111.676 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.4 m -130.77 25.35 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 126.151 1.78 . . . . 0.0 111.723 176.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.1 t80 46.9 31.99 1.68 Allowed 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 127.128 2.171 . . . . 0.0 114.902 -171.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 55.34 24.69 6.77 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 126.893 2.077 . . . . 0.0 115.694 174.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 31.2 m -57.89 -38.06 64.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -177.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.95 -42.63 69.52 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.472 0.709 . . . . 0.0 112.186 176.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.9 tt -58.57 -44.01 89.61 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.134 0.974 . . . . 0.0 110.43 175.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.5 m -65.05 -19.03 65.79 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.184 1.394 . . . . 0.0 113.535 177.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -118.93 -72.62 0.68 Allowed 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.283 1.033 . . . . 0.0 113.403 -171.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.2 m -76.16 -15.04 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 -178.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.0 m 44.13 35.08 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 128.095 2.558 . . . . 0.0 115.829 172.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 54.17 36.89 26.01 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.771 1.629 . . . . 0.0 113.939 -175.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.0 p -45.11 -33.75 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 126.067 1.747 . . . . 0.0 114.663 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.45 -31.94 64.45 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 114.269 1.211 . . . . 0.0 114.269 176.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.9 tp -61.16 -52.75 63.54 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.344 1.057 . . . . 0.0 111.247 175.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -70.13 -36.36 74.72 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.599 1.159 . . . . 0.0 111.996 -178.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.9 -49.94 70.7 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.984 0.914 . . . . 0.0 111.998 173.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -58.09 -36.9 73.52 Favored 'General case' 0 N--CA 1.471 0.625 0 O-C-N 121.022 -1.049 . . . . 0.0 111.501 173.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.52 1.67 2.14 Favored Glycine 0 CA--C 1.539 1.533 0 C-N-CA 125.855 1.693 . . . . 0.0 116.987 174.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.8 pp -140.32 -30.19 0.67 Allowed 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.349 1.574 . . . . 0.0 114.424 168.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -132.46 -46.08 0.9 Allowed 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.436 1.495 . . . . 0.0 112.173 176.488 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.267 0.0 OUTLIER 41.23 36.33 0.48 Allowed 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 127.554 2.342 . . . . 0.0 114.89 179.562 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 23.8 tp -78.8 -22.14 46.74 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.379 1.472 . . . . 0.0 114.448 -166.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -150.77 9.1 0.74 Allowed Glycine 0 CA--C 1.533 1.197 0 N-CA-C 117.053 1.581 . . . . 0.0 117.053 -167.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.65 -22.88 66.1 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 119.012 1.406 . . . . 0.0 113.992 178.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.1 m -145.17 14.05 1.45 Allowed 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.894 1.277 . . . . 0.0 114.256 -170.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -170.57 177.67 43.59 Favored Glycine 0 CA--C 1.54 1.621 0 O-C-N 120.822 -1.174 . . . . 0.0 115.752 -174.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -65.56 136.0 44.54 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 124.076 3.184 . . . . 0.0 112.5 -173.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -156.87 13.98 0.27 Allowed 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 -174.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -110.43 14.84 22.48 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 -163.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -136.94 167.04 22.24 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.414 1.886 . . . . 0.0 110.887 178.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -142.03 161.94 36.72 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.641 1.576 . . . . 0.0 110.471 174.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.4 m -58.91 145.83 39.91 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.604 1.162 . . . . 0.0 112.979 176.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -135.5 175.2 9.81 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 126.305 1.842 . . . . 0.0 111.938 -176.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -164.41 176.53 40.3 Favored Glycine 0 CA--C 1.537 1.446 0 C-N-CA 125.113 1.339 . . . . 0.0 113.847 178.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -133.5 9.68 4.0 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 125.509 1.524 . . . . 0.0 114.848 -171.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -170.78 -15.19 0.02 OUTLIER Glycine 0 CA--C 1.539 1.566 0 N-CA-C 116.566 1.387 . . . . 0.0 116.566 -179.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.279 0 O-C-N 120.274 -1.721 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 16.5 m . . . . . 0 N--CA 1.493 1.697 0 N-CA-C 111.55 0.204 . . . . 0.0 111.55 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.9 m -128.69 18.87 2.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 C-N-CA 125.738 1.615 . . . . 0.0 112.029 174.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER 44.78 33.17 0.92 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 127.357 2.263 . . . . 0.0 115.121 -171.397 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 58.19 19.63 6.34 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.958 2.103 . . . . 0.0 115.612 172.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 33.8 m -59.55 -35.31 58.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 O-C-N 121.128 -0.982 . . . . 0.0 113.601 -175.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.92 -48.76 65.06 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.467 0.707 . . . . 0.0 111.736 175.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.3 tt -56.33 -43.12 78.7 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.043 0.937 . . . . 0.0 110.482 174.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 35.9 m -63.53 -22.79 67.09 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.169 1.388 . . . . 0.0 113.758 178.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -122.31 -63.93 1.24 Allowed 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 -169.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.5 m -76.01 -9.87 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 CA-C-N 119.445 1.02 . . . . 0.0 113.478 178.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.8 m 39.76 39.87 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 127.963 2.505 . . . . 0.0 115.896 175.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 56.8 34.93 25.51 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.281 1.833 . . . . 0.0 114.61 -177.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.2 p -44.75 -34.81 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 C-N-CA 125.776 1.63 . . . . 0.0 114.903 -179.132 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.95 -34.25 69.72 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 177.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.5 tp -63.32 -46.33 87.17 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.08 0.952 . . . . 0.0 111.545 175.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -75.22 -32.76 61.25 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.049 0.94 . . . . 0.0 112.159 -177.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.63 -51.52 66.95 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.773 0.829 . . . . 0.0 111.444 167.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -58.1 -36.13 72.44 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.081 -1.012 . . . . 0.0 111.968 174.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.51 -0.9 2.94 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 126.302 1.906 . . . . 0.0 116.867 174.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.6 pp -140.26 -27.46 0.75 Allowed 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 119.163 1.482 . . . . 0.0 114.277 169.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -133.69 -44.48 0.81 Allowed 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.316 1.446 . . . . 0.0 112.559 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.257 0.0 OUTLIER 40.82 36.83 0.44 Allowed 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 127.473 2.309 . . . . 0.0 114.93 178.228 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.4 tp -70.08 -28.78 65.69 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.271 1.429 . . . . 0.0 114.412 -164.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -144.5 7.43 1.77 Allowed Glycine 0 CA--C 1.533 1.207 0 N-CA-C 116.843 1.497 . . . . 0.0 116.843 -168.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.31 -24.41 67.27 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 119.077 1.438 . . . . 0.0 113.829 177.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.0 m -145.1 16.69 1.55 Allowed 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.058 1.343 . . . . 0.0 113.932 -172.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -170.38 175.68 44.22 Favored Glycine 0 CA--C 1.542 1.732 0 N-CA-C 116.181 1.232 . . . . 0.0 116.181 -175.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -65.9 135.07 39.69 Favored 'Trans proline' 0 CA--C 1.54 0.791 0 C-N-CA 124.424 3.416 . . . . 0.0 112.698 -174.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -154.33 4.56 0.26 Allowed 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 115.691 1.737 . . . . 0.0 115.691 -170.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -106.66 14.79 26.5 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.875 1.27 . . . . 0.0 114.381 -167.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -135.59 162.06 33.77 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 126.113 1.765 . . . . 0.0 111.537 -176.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -144.56 152.88 41.19 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.71 1.604 . . . . 0.0 110.889 175.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.8 m -55.05 148.65 13.35 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 126.371 1.868 . . . . 0.0 115.091 -176.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -138.02 176.37 8.76 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 127.028 2.131 . . . . 0.0 111.56 -178.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.36 -178.09 39.87 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 124.471 1.034 . . . . 0.0 114.148 179.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 -126.74 4.2 6.7 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 125.708 1.603 . . . . 0.0 114.955 -174.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -168.8 10.08 0.05 OUTLIER Glycine 0 CA--C 1.539 1.571 0 N-CA-C 116.215 1.246 . . . . 0.0 116.215 -179.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 O-C-N 120.261 -1.729 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 28.6 m . . . . . 0 N--CA 1.494 1.729 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.7 m -119.98 22.72 5.22 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 C-N-CA 125.983 1.713 . . . . 0.0 111.249 168.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.2 t80 38.87 37.13 0.18 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 128.447 2.699 . . . . 0.0 115.268 -167.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 57.72 18.28 4.69 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 126.645 1.978 . . . . 0.0 115.427 172.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 31.3 m -61.4 -36.56 73.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 O-C-N 121.014 -1.054 . . . . 0.0 113.389 -173.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.94 -45.75 69.96 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.582 0.753 . . . . 0.0 111.868 175.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.5 tt -56.12 -43.74 78.45 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.459 1.104 . . . . 0.0 110.538 174.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.8 m -66.14 -22.76 66.39 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.007 1.323 . . . . 0.0 113.709 178.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -119.66 -66.17 1.09 Allowed 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 -169.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.3 m -76.41 -10.47 13.34 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 179.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.2 m 40.36 37.96 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 C-N-CA 127.844 2.458 . . . . 0.0 116.146 174.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 54.21 37.4 27.15 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.949 1.7 . . . . 0.0 114.423 -175.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.8 p -44.9 -35.36 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.215 0 C-N-CA 126.214 1.806 . . . . 0.0 114.804 -178.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.96 -26.78 64.74 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 114.578 1.325 . . . . 0.0 114.578 177.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.4 tp -64.98 -46.34 81.87 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.05 0.94 . . . . 0.0 111.851 176.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -70.71 -33.87 71.32 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.642 0.777 . . . . 0.0 111.627 178.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.88 -50.1 72.23 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.361 0.664 . . . . 0.0 111.807 170.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -55.59 -38.89 70.0 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 121.142 -0.974 . . . . 0.0 111.941 173.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.49 2.7 3.1 Favored Glycine 0 CA--C 1.536 1.398 0 N-CA-C 117.021 1.568 . . . . 0.0 117.021 176.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.6 pp -141.35 -27.92 0.67 Allowed 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 119.088 1.444 . . . . 0.0 114.452 169.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -133.7 -50.22 0.84 Allowed 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.937 1.295 . . . . 0.0 112.092 -179.301 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.273 0.0 OUTLIER 40.03 35.91 0.27 Allowed 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 127.496 2.318 . . . . 0.0 115.063 -179.459 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.3 tp -69.2 -28.4 66.35 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.883 1.673 . . . . 0.0 113.938 -170.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -149.45 4.31 0.68 Allowed Glycine 0 N--CA 1.474 1.219 0 N-CA-C 117.248 1.659 . . . . 0.0 117.248 -168.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.2 -20.5 65.72 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-N 119.138 1.469 . . . . 0.0 113.911 177.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.0 m -143.01 16.13 1.92 Allowed 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.873 1.269 . . . . 0.0 114.004 -171.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -171.85 172.22 44.56 Favored Glycine 0 CA--C 1.541 1.7 0 O-C-N 120.914 -1.116 . . . . 0.0 115.467 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -56.3 138.01 82.03 Favored 'Trans proline' 0 CA--C 1.539 0.75 0 C-N-CA 124.318 3.345 . . . . 0.0 112.934 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -157.57 12.43 0.21 Allowed 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 115.246 1.573 . . . . 0.0 115.246 -171.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -116.17 16.98 15.89 Favored 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 114.81 1.411 . . . . 0.0 114.81 -163.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -136.6 170.55 15.88 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 126.058 1.743 . . . . 0.0 110.778 174.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -143.14 152.88 42.29 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.264 1.426 . . . . 0.0 110.693 175.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 41.9 m -53.33 146.6 11.87 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.678 1.591 . . . . 0.0 114.88 -177.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.3 mmt180 -138.19 176.89 8.3 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 126.845 2.058 . . . . 0.0 111.49 -178.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -164.55 178.21 39.86 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 124.697 1.141 . . . . 0.0 113.778 177.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -131.04 14.29 5.21 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 125.753 1.621 . . . . 0.0 114.108 -173.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 176.28 -24.52 0.06 OUTLIER Glycine 0 CA--C 1.538 1.494 0 N-CA-C 115.404 0.922 . . . . 0.0 115.404 177.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.343 0 O-C-N 120.552 -1.557 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 16.9 m . . . . . 0 N--CA 1.492 1.643 0 N-CA-C 111.621 0.23 . . . . 0.0 111.621 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 26.8 m -126.52 25.93 2.65 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 C-N-CA 126.142 1.777 . . . . 0.0 111.374 171.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 8.9 t80 41.38 39.47 1.03 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 127.878 2.471 . . . . 0.0 115.002 -169.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 59.21 19.55 7.6 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.259 1.824 . . . . 0.0 115.759 167.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.5 m -57.61 -36.72 55.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -174.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.1 -48.59 42.8 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.471 0.708 . . . . 0.0 111.94 174.132 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.4 tt -55.85 -40.59 73.11 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.638 1.175 . . . . 0.0 111.243 178.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.4 m -69.83 -14.6 62.83 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.227 1.411 . . . . 0.0 113.626 178.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -125.61 -57.28 1.46 Allowed 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 -169.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.3 m -83.03 -10.99 12.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 CA-C-N 119.356 0.98 . . . . 0.0 113.323 176.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 30.8 m 37.73 41.59 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.225 0 C-N-CA 128.026 2.53 . . . . 0.0 115.918 175.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 55.16 39.01 31.31 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.811 1.644 . . . . 0.0 114.56 -177.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.4 p -44.57 -32.17 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 C-N-CA 126.4 1.88 . . . . 0.0 114.822 177.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.3 -35.25 62.43 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.689 1.196 . . . . 0.0 114.075 175.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.6 tp -62.27 -49.53 75.32 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.95 0.9 . . . . 0.0 111.592 175.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -72.15 -32.07 66.56 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.913 0.885 . . . . 0.0 112.134 -176.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.98 -53.81 40.33 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.705 0.802 . . . . 0.0 111.803 168.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -56.59 -37.35 70.5 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 121.245 -0.909 . . . . 0.0 112.252 176.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.8 1.38 3.37 Favored Glycine 0 CA--C 1.539 1.536 0 C-N-CA 126.003 1.763 . . . . 0.0 116.785 177.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 pp -140.93 -27.1 0.72 Allowed 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 118.822 1.311 . . . . 0.0 114.076 167.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -135.37 -45.35 0.69 Allowed 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.993 1.317 . . . . 0.0 112.37 -178.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.273 0.0 OUTLIER 41.1 35.83 0.41 Allowed 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 127.818 2.447 . . . . 0.0 115.468 176.485 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 37.9 tp -66.82 -26.71 67.06 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.819 1.648 . . . . 0.0 114.407 -170.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -142.14 -2.43 1.17 Allowed Glycine 0 CA--C 1.533 1.183 0 N-CA-C 117.027 1.571 . . . . 0.0 117.027 -167.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.44 -12.98 62.11 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 118.986 1.393 . . . . 0.0 113.973 174.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.8 m -139.49 5.83 2.26 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 -169.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 178.66 179.75 48.56 Favored Glycine 0 CA--C 1.541 1.668 0 N-CA-C 116.106 1.202 . . . . 0.0 116.106 -179.065 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -51.53 131.79 38.2 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 124.934 3.756 . . . . 0.0 113.759 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -156.41 6.73 0.19 Allowed 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 115.043 1.497 . . . . 0.0 115.043 -175.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -112.71 21.66 15.33 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 125.133 1.373 . . . . 0.0 113.721 -167.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -136.13 164.67 27.51 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 126.728 2.011 . . . . 0.0 110.17 173.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -141.89 158.32 43.92 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.451 1.501 . . . . 0.0 110.509 175.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.4 m -56.46 148.34 19.53 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.953 1.301 . . . . 0.0 114.403 -177.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -138.2 170.99 15.07 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 126.345 1.858 . . . . 0.0 112.212 -177.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.48 179.58 40.36 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 125.692 1.615 . . . . 0.0 112.857 178.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -132.74 23.61 4.3 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 125.391 1.477 . . . . 0.0 113.707 -171.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -177.97 -21.76 0.03 OUTLIER Glycine 0 CA--C 1.536 1.401 0 N-CA-C 115.711 1.044 . . . . 0.0 115.711 177.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.254 0 O-C-N 120.393 -1.651 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 16.1 m . . . . . 0 N--CA 1.493 1.678 0 N-CA-C 111.534 0.198 . . . . 0.0 111.534 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.7 m -130.23 26.79 1.69 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.371 0 C-N-CA 126.024 1.73 . . . . 0.0 111.662 176.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.3 t80 42.69 41.13 2.3 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 127.55 2.34 . . . . 0.0 115.127 -171.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 59.61 22.86 11.57 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 115.492 1.664 . . . . 0.0 115.492 163.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 20.5 m -54.87 -26.12 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 N-CA-C 115.418 1.636 . . . . 0.0 115.418 -172.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -88.53 -46.46 9.08 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.664 0.786 . . . . 0.0 112.553 171.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 tt -57.9 -45.15 86.89 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.444 1.098 . . . . 0.0 111.473 -178.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.1 m -71.19 -10.41 59.71 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.014 1.326 . . . . 0.0 113.498 178.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -124.3 -74.4 0.61 Allowed 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.029 -1.044 . . . . 0.0 113.256 -171.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 18.4 m -72.2 -15.02 17.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.6 m 41.51 38.15 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.2 0 C-N-CA 127.662 2.385 . . . . 0.0 115.816 174.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 55.12 38.04 29.85 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.99 1.716 . . . . 0.0 114.262 -176.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.6 p -47.48 -30.81 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 125.748 1.619 . . . . 0.0 114.985 -177.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.2 -28.56 53.9 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.905 1.282 . . . . 0.0 114.26 174.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 67.6 tp -61.37 -45.88 92.52 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.434 1.093 . . . . 0.0 112.113 174.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -74.62 -31.7 62.08 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 123.483 0.713 . . . . 0.0 111.972 -178.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.78 -51.76 65.84 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.236 0.615 . . . . 0.0 111.478 168.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -56.78 -38.24 72.23 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.037 -1.04 . . . . 0.0 111.99 173.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.59 2.42 3.44 Favored Glycine 0 CA--C 1.538 1.479 0 C-N-CA 125.75 1.643 . . . . 0.0 116.854 176.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.4 pp -141.44 -29.07 0.64 Allowed 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 118.957 1.379 . . . . 0.0 114.305 170.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -131.83 -51.48 0.98 Allowed 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 125.462 1.505 . . . . 0.0 111.522 179.209 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.27 0.0 OUTLIER 41.99 31.78 0.25 Allowed 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 127.746 2.418 . . . . 0.0 115.506 -179.757 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.3 tp -68.49 -27.1 65.84 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.312 1.845 . . . . 0.0 114.233 -171.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -146.86 11.44 1.44 Allowed Glycine 0 CA--C 1.533 1.207 0 N-CA-C 116.174 1.23 . . . . 0.0 116.174 -168.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.68 -24.52 67.6 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 118.636 1.218 . . . . 0.0 113.897 178.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.2 m -145.23 13.22 1.41 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.821 1.248 . . . . 0.0 114.215 -171.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -171.35 179.07 43.37 Favored Glycine 0 CA--C 1.54 1.607 0 N-CA-C 116.457 1.343 . . . . 0.0 116.457 -172.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -64.47 135.97 48.43 Favored 'Trans proline' 0 CA--C 1.537 0.646 0 C-N-CA 124.483 3.455 . . . . 0.0 112.594 -173.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -156.87 11.36 0.23 Allowed 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 -174.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -119.37 27.65 8.67 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 125.297 1.439 . . . . 0.0 113.711 -166.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 57.4 mttp -138.22 164.02 30.25 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 127.306 2.242 . . . . 0.0 109.88 174.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -143.09 151.9 41.25 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.093 1.357 . . . . 0.0 110.23 174.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.8 m -55.56 147.04 18.84 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 125.504 1.522 . . . . 0.0 114.493 -177.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 -138.5 173.16 11.89 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 126.062 1.745 . . . . 0.0 112.756 -175.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -164.61 179.51 39.3 Favored Glycine 0 CA--C 1.538 1.52 0 C-N-CA 126.22 1.867 . . . . 0.0 112.514 176.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -129.23 8.08 5.51 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 114.997 1.48 . . . . 0.0 114.997 -171.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 176.96 -18.78 0.04 OUTLIER Glycine 0 CA--C 1.536 1.405 0 N-CA-C 116.078 1.191 . . . . 0.0 116.078 177.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 O-C-N 120.393 -1.651 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 17.3 m . . . . . 0 N--CA 1.493 1.717 0 N-CA-C 111.415 0.154 . . . . 0.0 111.415 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.0 m -131.5 24.23 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 C-N-CA 125.655 1.582 . . . . 0.0 112.526 -177.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 26.3 t80 48.09 36.14 6.1 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 126.19 1.796 . . . . 0.0 114.257 -169.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 54.29 30.67 12.87 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 126.14 1.776 . . . . 0.0 115.683 167.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 24.0 m -58.33 -5.2 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.225 0 N-CA-C 116.519 2.044 . . . . 0.0 116.519 -177.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -118.43 -35.63 3.72 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.84 1.256 . . . . 0.0 113.422 171.158 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.9 tt -67.88 -48.1 67.01 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.293 1.037 . . . . 0.0 111.027 176.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 38.1 m -69.44 -24.34 63.8 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 121.085 -1.009 . . . . 0.0 112.772 176.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -104.71 -69.88 0.79 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.838 0.855 . . . . 0.0 113.253 -171.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 t -75.74 -35.55 31.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 O-C-N 121.185 -0.947 . . . . 0.0 112.082 -174.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.7 m 41.26 39.45 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 C-N-CA 128.209 2.604 . . . . 0.0 115.505 175.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 56.95 43.17 25.11 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.668 1.587 . . . . 0.0 113.932 -177.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.8 p -43.32 -32.57 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 126.03 1.732 . . . . 0.0 114.139 173.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.18 -34.71 64.08 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.83 1.252 . . . . 0.0 114.23 175.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.1 tp -65.84 -49.09 69.43 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.704 1.138 . . . . 0.0 111.572 176.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -66.39 -37.55 85.51 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.034 0.934 . . . . 0.0 111.867 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.68 -53.06 53.39 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.967 0.907 . . . . 0.0 112.09 172.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -56.28 -35.86 67.96 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.078 -1.014 . . . . 0.0 112.242 176.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.63 -0.78 2.96 Favored Glycine 0 CA--C 1.538 1.471 0 N-CA-C 117.084 1.594 . . . . 0.0 117.084 174.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 pp -141.35 -24.84 0.72 Allowed 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 119.042 1.421 . . . . 0.0 114.355 168.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -135.33 -50.07 0.74 Allowed 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.382 1.473 . . . . 0.0 112.136 177.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.282 0.0 OUTLIER 41.5 32.89 0.25 Allowed 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 127.404 2.281 . . . . 0.0 115.458 -175.76 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 35.5 tp -68.78 -24.27 64.39 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.955 1.702 . . . . 0.0 113.686 -175.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -158.74 11.04 0.2 Allowed Glycine 0 CA--C 1.535 1.295 0 N-CA-C 117.295 1.678 . . . . 0.0 117.295 -169.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.41 -15.82 63.61 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 119.1 1.45 . . . . 0.0 114.403 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.0 m -147.27 22.96 1.18 Allowed 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.534 1.534 . . . . 0.0 113.384 -178.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -172.09 172.18 44.62 Favored Glycine 0 CA--C 1.539 1.59 0 O-C-N 120.879 -1.138 . . . . 0.0 115.228 179.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -53.83 139.87 68.43 Favored 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 124.307 3.338 . . . . 0.0 113.276 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -157.2 11.69 0.22 Allowed 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 114.467 1.284 . . . . 0.0 114.467 -174.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -122.25 21.32 10.41 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 125.622 1.569 . . . . 0.0 113.532 -166.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -133.96 166.59 22.34 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 127.192 2.197 . . . . 0.0 110.313 173.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -141.81 162.52 35.28 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.822 1.249 . . . . 0.0 110.807 179.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 45.0 m -62.06 144.32 55.39 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.814 0.846 . . . . 0.0 112.403 173.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -138.47 172.71 12.49 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 126.447 1.899 . . . . 0.0 111.215 -179.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -165.33 177.63 40.61 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 124.628 1.109 . . . . 0.0 113.705 179.232 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -131.45 11.48 4.91 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 125.499 1.52 . . . . 0.0 114.134 -171.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 173.55 -22.6 0.07 OUTLIER Glycine 0 CA--C 1.54 1.638 0 N-CA-C 115.48 0.952 . . . . 0.0 115.48 178.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.216 0 O-C-N 120.472 -1.605 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_